-
Ph.D.(The University of Texas at Austin)
Research History 4
-
2023 - PresentThe University of Queensland ARC Centre of Excellence for Green Electrochemical Transformation of Carbon Dioxide
-
2022/04 - PresentTohoku University Advanced Institute for Materials Research Jr. Principal Investigator, Associate Professor
-
2020/01 - 2022/03Technical University of Denmark Catalysis Theory Center, Department of Physics Postdoctoral Researcher
-
2015/09 - 2019/12The University of Texas at Austin Department of Chemistry; The Oden Institute for Computational and Engineering Sciences Ph.D. Researcher
Education 3
-
The University of Texas at Austin Department of Chemistry and The Oden Institute for Computational and Engineering Sciences
2015/09 - 2019/12
-
University of California, Los Angeles Institute for Pure & Applied Mathematics (IPAM)
2017/09 - 2017/12
-
Sichuan University School of Chemistry
2011/09 - 2015/06
Committee Memberships 6
-
AIMS Materials Science, AIMS Press Editorial Board
2024/02 - Present
-
Nano Materials Science (Journal), Elsevier Youth Editorial Board
2023/07 - Present
-
Frontiers of Chemical Science & Engineering (Journal), Springer Youth Editorial Board
2023/01 - Present
-
Frontiers of Physics (Journal), Springer Youth Editorial Board
2022/06 - Present
-
Energies (Journal) Editorial Board Member
2021 - Present
-
Advanced Powder Materials (Journal), Elsevier Youth Editorial Board
2022/09 - 2024
Professional Memberships 1
-
American Chemical Society
2022 - Present
Research Interests 5
-
Digital Chemistry
-
Materials Theory
-
Catalysis Theory
-
Density Functional Theory
-
Artificial Intelligence
Research Areas 5
-
Natural sciences / Bio-, chemical, and soft-matter physics /
-
Natural sciences / Mathematical physics and basic theory /
-
Energy / Earth resource engineering, energy science /
-
Nanotechnology/Materials / Structural/physical organic chemistry /
-
Nanotechnology/Materials / Basic physical chemistry /
Awards 23
-
Outstanding Reviewer
2024/03 Chemical Communications, Royal Society of Chemistry
-
Excellent Young Editorial Board Member
2024/03 Nano Materials Science, Elsevier
-
Core Research Cluster for Materials Science Award
2023/11 Tohoku University
-
Top 2% of the World’s Most Highly Cited Scientists in 2022
2023/10 Elsevier and Stanford University
-
Most popular article in 2022 for Journal of Materials Chemistry A
2023/01 Royal Society of Chemistry
-
Outstanding Review-Type Paper of Chemistry – A European Journal
2022/12 Chemistry – A European Journal, Wiley Publisher
-
Top 2% of the World’s Most Highly Cited Scientists in 2021
2022/10 Elsevier and Stanford University
-
Surface Science Young Investigator
2022/03 American Chemical Society (ACS)
-
Most popular article in 2021 for Journal of Materials Chemistry A
2022 Royal Society of Chemistry
-
Top 2% of the World’s Most Highly Cited Scientists in 2020
2021/10 Elsevier and Stanford University
-
AIChE Best Fundamental Paper Award
2020/10 American Institute of Chemical Engineers (AIChE)
-
2019 Top 10 Outstanding Reviewer of Chemical Communications
2020/03 Royal Society of Chemistry
-
Finalist, ECR Reviewers' Choice Award
2019/09 Publons
-
Emerging Investigators in Materials Chemistry
2019/05 Royal Society of Chemistry
-
Graduate Student Professional Development Award
2019/02 The University of Texas at Austin
-
2019 MDPI Sustainability Travel Award
2019/02 MDPI
-
Crowd Favorite Research
2019/02 UT Energy Week Research Showcase
-
Department Excellence Fellowship (Highest Fellowship in UT Chem)
2019/01 Department of Chemistry, The University of Texas at Austin
-
University Graduate Continuing Fellowship (Highest Fellowship in UT Graduate School)
2019 The University of Texas at Austin
-
2018 Top (1%) Journal Reviewers in Chemistry
2018/09 Publons
-
2017 Top (1%) Journal Reviewers in Materials Science
2017/09 Publons
-
Most Valued Reviewers of Infrared Physics and Technology
2017/04 Elsevier
-
2017 Hamilton/Schoch Fellowship
2017/01 The University of Texas at Austin
Papers 187
-
Data Mining of Stable, Low-Cost Metal Oxides as Potential Electrocatalysts Invited Peer-reviewed
Xue Jia, Hao Li
Artificial Intelligence Chemistry 2024/04
DOI: 10.1016/j.aichem.2024.100065
ISSN:2949-7477
-
Reversible Hydrogen Electrode (RHE) Scale Dependent Surface Pourbaix Diagram at Different pH Peer-reviewed
Heng Liu, Di Zhang, Yuan Wang, Hao Li
Langmuir 2024/03/29
DOI: 10.1021/acs.langmuir.4c00298
ISSN:0743-7463 1520-5827
-
Water and Salt Concentration-Dependent Electrochemical Performance of Hydrogel Electrolytes in Zinc-Ion Batteries Peer-reviewed
Di Zhu, Jing Li, Zhi Zheng, Songbo Ye, Yuqi Pan, Jiacheng Wu, Fangxin She, Leo Lai, Zihan Zhou, Jiaxiang Chen, Hao Li, Li Wei, Yuan Chen
ACS Applied Materials & Interfaces 2024/03/20
ISSN:1944-8244 1944-8252
-
Dealing with the big data challenges in AI for thermoelectric materials Invited Peer-reviewed
Xue Jia, Alex Aziz, Yusuke Hashimoto, Hao Li
Science China Materials 2024/03/08
DOI: 10.1007/s40843-023-2777-2
ISSN:2095-8226 2199-4501
-
Unraveling the coordination behavior and transformation mechanism of Cr3+ in Fe–Cr redox flow battery electrolytes Invited Peer-reviewed
Xiaojun Zhao, Xinwei Niu, Xinyuan Liu, Chongchong Wu, Xinyu Duan, George Ma, Yan Xu, Hao Li, Weijie Yang
Materials Reports: Energy 2024/03
DOI: 10.1016/j.matre.2024.100271
ISSN:2666-9358
-
Recent Progress of Electrochemical Nitrate Reduction to Ammonia on Copper‐Based Catalysts: From Nanoparticles to Single Atoms Invited Peer-reviewed
Zixun Yu, Mingyao Gu, Yangyang Wang, Hao Li, Yuan Chen, Li Wei
Advanced Energy and Sustainability Research 2024/02/16
ISSN:2699-9412
-
Synthesis of Lead Dioxide and Evaluation of Its Electrocatalytic Performance in Ammonia Synthesis Peer-reviewed
Wei Xiong, Huhu Yin, Xiujing Xing, Hao Li
Journal of Chemical Education 2024/02/16
DOI: 10.1021/acs.jchemed.3c01150
ISSN:0021-9584 1938-1328
-
Tuning the Selectivity of Nitrate Reduction via Fine Composition Control of RuPdNP Catalysts. Peer-reviewed
Jacob P Troutman, Sai Pavan Jagannath Mantha, Hao Li, Graeme Henkelman, Simon Humphrey, Charles Werth
Small (Weinheim an der Bergstrasse, Germany) 2024/02/07
-
Facile synthesis of Ni-based oxides nanocatalyst: effect of calcination temperature on NRR properties of NiO Peer-reviewed
Xiaoyan Huang, Xiujing Xing, Wei Xiong, Hao Li
Carbon Letters 2024/02/02
DOI: 10.1007/s42823-023-00681-2
ISSN:1976-4251 2233-4998
-
Deciphering Structure−Activity Relationship Towards CO2 Electroreduction over SnO2 by A Standard Research Paradigm Peer-reviewed
Zhongyuan Guo, Yihong Yu, Congcong Li, Egon Campos dos Santos, Tianyi Wang, Huihui Li, Jiang Xu, Chuangwei Liu, Hao Li
Angewandte Chemie 2024/01/29
ISSN:0044-8249 1521-3757
-
Steering CO<sub>2</sub> Electroreduction to C<sub>2+</sub> Products via Enhancing Localized *Co Coverage And Local Pressure in Conical Cavity Peer-reviewed
Chunzhong Li, Tingting Zhang, Heng Liu, Zhongyuan Guo, Zhongliang Liu, Haojun Shi, Jialin Cui, Hao Li, Huihui Li, Chunzhong Li
Advanced Materials 2024/01/25
ISSN:0935-9648 1521-4095
-
Precise coordination of high-loading Fe single atoms with sulfur boosts selective generation of nonradicals Peer-reviewed
Xunheng Jiang, Binghui Zhou, Weijie Yang, Jiayi Chen, Chen Miao, Zhongyuan Guo, Hao Li, Yang Hou, Xinhua Xu, Lizhong Zhu, Daohui Lin, Jiang Xu
Proceedings of the National Academy of Sciences 2024/01/23
ISSN:0027-8424 1091-6490
-
Unraveling the pH-Dependent Oxygen Reduction Performance on Single-Atom Catalysts: From Single- to Dual-Sabatier Optima Peer-reviewed
Di Zhang, Zhuyu Wang, Fangzhou Liu, Peiyun Yi, Linfa Peng, Yuan Chen, Li Wei, Hao Li
Journal of the American Chemical Society 2024/01/12
DOI: 10.1021/jacs.3c11246
ISSN:0002-7863 1520-5126
-
Active machine learning model for the dynamic simulation and growth mechanisms of carbon on metal surface Peer-reviewed
Di Zhang, Peiyun Yi, Xinmin Lai, Linfa Peng, Hao Li
Nature Communications 2024/01/06
DOI: 10.1038/s41467-023-44525-z
ISSN:2041-1723
-
Benchmarking pH-Field Coupled Microkinetic Modeling Against Oxygen Reduction in Large-Scale Fe-Azaphthalocyanine Catalysts Peer-reviewed
Di Zhang, Yutaro Hirai, Koki Nakamura, Koju Ito, Yasutaka Matsuo, Kosuke Ishibashi, Yusuke Hashimoto, Hiroshi Yabu, Hao Li
Chemical Science 2024
DOI: 10.1039/d4sc00473f
ISSN:2041-6520 2041-6539
-
Origin of the Electrocatalytic Nitrogen Reduction Activity over Transition Metal Disulfides: The Critical Role of the In Situ Generation of S Vacancy Peer-reviewed
Tianyi Wang, Zhongyuan Guo, Hirofumi Oka, Akichika Kumatani, Chuangwei Liu, Hao Li
Journal of Materials Chemistry A 2024
DOI: 10.1039/d4ta00307a
ISSN:2050-7488 2050-7496
-
A Doping‐Induced SrCo<sub>0.4</sub>Fe<sub>0.6</sub>O<sub>3</sub>/CoFe<sub>2</sub>O<sub>4</sub> Nanocomposite for Efficient Oxygen Evolution in Alkaline Media Peer-reviewed
Heng Liu, Yuan Wang, Pengfei Tan, Egon C. dos Santos, Stuart Holmes, Hao Li, Jun Pan, Carmine D'Agostino
Small 2023/12/18
ISSN:1613-6810 1613-6829
-
Enhanced Ion Transport Through Mesopores Engineered with Additional Adsorption of Layered Double Hydroxides Array in Alkaline Flow Batteries Peer-reviewed
Pengfei Wang, Kun Zhang, Hao Li, Jing Hu, Menglian Zheng
Small 2023/12/14
ISSN:1613-6810 1613-6829
-
Identifying Stable Electrocatalysts Initialized by Data Mining: Sb<sub>2</sub>WO<sub>6</sub> for Oxygen Reduction Peer-reviewed
Xue Jia, Zixun Yu, Fangzhou Liu, Heng Liu, Di Zhang, Egon Campos dos Santos, Hao Zheng, Yusuke Hashimoto, Yuan Chen, Li Wei, Hao Li
Advanced Science 2023/12/07
ISSN:2198-3844
-
Navigating Materials Chemical Space to Discover New Battery Electrodes Using Machine Learning Peer-reviewed
Mukhtar Lawan Adam, Oyawale Adetunji Moses, Jonathan Pradana Mailoa, Chang- Yu Hsieh, Xue-Feng Yu, Hao Li, Haitao Zhao
Energy Storage Materials 2023/12
DOI: 10.1016/j.ensm.2023.103090
ISSN:2405-8297
-
Boosting Electrochemical CO<sub>2</sub> Reduction via Surface Hydroxylation over Cu-Based Electrocatalysts Peer-reviewed
Congcong Li, Zhongyuan Guo, Zhongliang Liu, Tingting Zhang, Haojun Shi, Jialin Cui, Minghui Zhu, Ling Zhang, Hao Li, Huihui Li, Chunzhong Li
ACS Catalysis 2023/12/01
ISSN:2155-5435
-
Enhancing phenanthrene hydrogenation via controllable phosphate deposition over Ni2P/Al2O3 catalysts Peer-reviewed
Jieying Jing, Zhongyuan Guo, Ze Li, Yu Chen, Hao Li, Wen-Ying Li
Chemical Engineering Science 282 119251-119251 2023/12
Publisher: Elsevier {BV}DOI: 10.1016/j.ces.2023.119251
ISSN:0009-2509
-
Cation‐Deficient Perovskites Greatly Enhance the Electrocatalytic Activity for Oxygen Reduction Reaction Peer-reviewed
Qun Li, Di Zhang, Jiabin Wu, Simin Dai, Heng Liu, Min Lu, Renwen Cui, Wenxi Liang, Dingsheng Wang, Pinxian Xi, Meilin Liu, Hao Li, Liang Huang
Advanced Materials 2023/11/29
ISSN:0935-9648 1521-4095
-
Flower-Like Ni–Mn Bimetallic Oxide-Based Nanosheets for Enhanced Electrocatalytic Nitrogen Reduction to Ammonia Peer-reviewed
xiaoyan huang, Xiujing Xing, Wei Xiong, Hao Li
Energy & Fuels 2023/11/23
DOI: 10.1021/acs.energyfuels.3c03517
ISSN:0887-0624 1520-5029
-
Importing Antibonding‐Orbital Occupancy through Pd‐O‐Gd Bridge Promotes Electrocatalytic Oxygen Reduction Peer-reviewed
Shuwang Ning, Meng Li, Xuan Wang, Di Zhang, Baiyu Zhang, Caikang Wang, Dongmei Sun, Yawen Tang, Hao Li, Kang Sun, Gengtao Fu
Angewandte Chemie International Edition 2023/11/09
Publisher: WileyISSN:1433-7851 1521-3773
-
Few-Atomic Zero-Valent Palladium Ensembles for Efficient Reductive Dehydrogenation and Dehalogenation Catalysis Peer-reviewed
Zhenjie Li, Zhongyuan Guo, Xinyue Wu, Xunheng Jiang, Hao Li, Jiang Xu, Daohui Lin
ACS Nano 2023/11/06
Publisher: American Chemical Society ({ACS})ISSN:1936-0851 1936-086X
-
The CatMath: an online predictive platform for thermal + electrocatalysis Peer-reviewed
Heng Liu, Hao Zheng, Zhenhe Jia, Binghui Zhou, Yan Liu, Xuelu Chen, Yajun Feng, Li Wei, Weijie Yang, Hao Li
Frontiers of Chemical Science and Engineering 2023/10/31
DOI: 10.1007/s11705-023-2371-3
ISSN:2095-0179 2095-0187
-
PCTS‐Controlled Synthesis of L1<sub>0</sub>/L1<sub>2</sub>‐Typed Pt‐Mn Intermetallics for Electrocatalytic Oxygen Reduction Peer-reviewed
Wei Yan, Xuan Wang, Manman Liu, Kaiyue Ma, Liqi Wang, Qicheng Liu, Caikang Wang, Xian Jiang, Hao Li, Yawen Tang, Gengtao Fu
Advanced Functional Materials 2023/10/29
Publisher: WileyISSN:1616-301X 1616-3028
-
Coordination engineering for single-atom catalysts in bifunctional oxidation NO and mercury Peer-reviewed
Weijie Yang, Binghui Zhou, Liugang Chen, Ruiyang Shi, Hao Li, Xiaoshuo Liu, Zhengyang Gao
Fuel 349 128751-128751 2023/10
Publisher: Elsevier {BV}DOI: 10.1016/j.fuel.2023.128751
ISSN:0016-2361
-
A dynamic database of solid-state electrolyte (DDSE) picturing all-solid-state batteries Peer-reviewed
Fangling Yang, Egon Campos dos Santos, Xue Jia, Ryuhei Sato, Kazuaki Kisu, Yusuke Hashimoto, Shin-ichi Orimo, Hao Li
Nano Materials Science 2023/09
Publisher: Elsevier {BV}DOI: 10.1016/j.nanoms.2023.08.002
ISSN:2589-9651
eISSN:2589-9651
-
Pd–Au–Cu Ternary Alloy Nanoparticles: Highly Tunable and Economical Nitrite Reduction Catalysts Peer-reviewed
Pranaw Kunal, Chenxu Yan, Hongyu Guo, Hao Li, Carolyn E. Brady, Michael Duncan, Xun Zhan, Charles Werth, Graeme Henkelman, Simon Humphrey
ACS Catalysis 11945-11953 2023/08/28
Publisher: American Chemical Society ({ACS})ISSN:2155-5435
-
Dextran: A Multifunctional and Universal Electrolyte Additive for Aqueous Zn Ion Batteries Peer-reviewed
Jing Li, Zhongyuan Guo, Jiacheng Wu, Zhi Zheng, Zixun Yu, Fangxin She, Leo Lai, Hao Li, Yuan Chen, Li Wei
Advanced Energy Materials 2023/08/13
Publisher: WileyISSN:1614-6832 1614-6840
-
Cooperative regulation of hard template and emulsion self-assembly to the synthesis of N/O co-doped mesoporous hollow carbon nanospheres for supercapacitors Peer-reviewed
Congxu Wu, Xiujing Xing, Wei Xiong, Hao Li
Diamond and Related Materials 110273-110273 2023/08
Publisher: Elsevier {BV}DOI: 10.1016/j.diamond.2023.110273
ISSN:0925-9635
-
Explore the Ionic Conductivity Trends on B<sub>12</sub>H<sub>12</sub> Divalent <i>Closo</i>-Type Complex Hydride Electrolytes Peer-reviewed
Egon Campos dos Santos, Ryuhei Sato, Kazuaki Kisu, Kartik Sau, Xue Jia, Fangling Yang, Shin-ichi Orimo, Hao Li
Chemistry of Materials 35 (15) 5996-6004 2023/07/26
Publisher: American Chemical Society ({ACS})DOI: 10.1021/acs.chemmater.3c00975
ISSN:0897-4756 1520-5002
eISSN:1520-5002
-
A novel synthesis of carbon foam@Fe2O3 via hydrolysis-driven emulsion polymerization for supercapacitor electrodes Peer-reviewed
Congxu Wu, Wei Xiong, Hao Li
Carbon Letters 2023/07/18
Publisher: Springer Science and Business Media {LLC}DOI: 10.1007/s42823-023-00566-4
ISSN:1976-4251 2233-4998
-
Why Is C–C Coupling in CO<sub>2</sub> Reduction Still Difficult on Dual-Atom Electrocatalysts? Peer-reviewed
Weijie Yang, Zhenhe Jia, Binghui Zhou, Liugang Chen, Xun-Lei Ding, Long Jiao, Huiling Zheng, Zhengyang Gao, qiang, Hao Li
ACS Catalysis 9695-9705 2023/07/10
Publisher: American Chemical Society ({ACS})ISSN:2155-5435
-
Modulating the Electronic Structures of Cobalt-Organic Frameworks for Efficient Electrocatalytic Oxygen Evolution Peer-reviewed
Yongchao Hao, Zhongyuan Guo, Huiya Cheng, Chenghao Yao, Shuling Cheng, Lizhi Yi, Hao Li
Journal of Colloid and Interface Science 2023/07
Publisher: Elsevier {BV}DOI: 10.1016/j.jcis.2023.07.151
ISSN:0021-9797
-
NO Oxidation Using H<sub>2</sub>O<sub>2</sub> at a Single-Atom Iron Catalyst Peer-reviewed
Weijie Yang, Liugang Chen, Binghui Zhou, Zhenhe Jia, Xiaoshuo Liu, Yanfeng Liu, Hao Li, Zhengyang Gao
The Journal of Physical Chemistry C 2023/06/29
Publisher: American Chemical Society ({ACS})ISSN:1932-7447 1932-7455
-
Construction of Magnetic S‐Doped CoWO<sub>4</sub> Composite for Efficient and Selective Recovery of Gold from Wastewater via Adsorption–Reduction Pathway Peer-reviewed
Minghu Zhao, Yuefeng Zhang, Ruijie Yang, Chen Wang, Chao Xiong, Hao Li, Rongshu Zhu, Shixing Wang, zhiyuan zeng
Small Structures 2023/06/27
Publisher: WileyISSN:2688-4062
-
Ce‐Induced Differentiated Regulation of Co Sites via Gradient Orbital Coupling for Bifunctional Water‐Splitting Reactions Peer-reviewed
Meng Li, Xuan Wang, Kun Liu, Zhuoya Zhu, Hanyu Guo, Meize Li, Han Du, Dongmei Sun, Hao Li, Kai Huang, Yawen Tang, Gengtao Fu
Advanced Energy Materials 2023/06/22
Publisher: WileyISSN:1614-6832 1614-6840
-
Tuning the Coordination Environment of Single‐Atom Iron Catalysts Towards Effective Nitrogen Reduction Peer-reviewed
Zhongyuan Guo, Chuangwei Liu, Chenghua Sun, Jiang Xu, Hao Li, Tianyi Wang
ChemCatChem 2023/06/13
Publisher: WileyISSN:1867-3880 1867-3899
-
Hydrothermal Self‐Assembly of Gold Nanoparticles Embed on Carbon Felt for Effective Nitrogen Reduction Invited Peer-reviewed
Wei Zhang, Tianyi Wang, Chuangwei Liu, Chongxiong Duan, Wei Xiong, Hao Li
Advanced Energy and Sustainability Research 2023/05/25
Publisher: WileyISSN:2699-9412
-
Reinforce the Co‐O Covalency via Ce(4 <i>f</i> )‐O(2 <i>p</i> )‐Co(3 <i>d</i> ) Gradient Orbital Coupling for High‐efficiency Oxygen Evolution Peer-reviewed
Meng Li, Xuan Wang, Kun Liu, Huamei Sun, Dongmei Sun, Kai Huang, Yawen Tang, Wei Xing, Hao Li, Gengtao Fu
Advanced Materials 2023/04/18
Publisher: WileyISSN:0935-9648 1521-4095
-
Topological Data analysis of Ion Migration Mechanism Peer-reviewed
Ryuhei Sato, Kazuto Akagi, Shigeyuki Takagi, Kartik Sau, Kazuaki Kisu, Hao Li, Shin-ichi ORIMO
The Journal of Chemical Physics 158 (14) 144116-144116 2023/04/14
Publisher: {AIP} PublishingDOI: 10.1063/5.0143387
ISSN:0021-9606 1089-7690
eISSN:1089-7690
-
Spin‐Selective Coupling in Mott–Schottky Er <sub>2</sub> O <sub>3</sub> ‐Co Boosts Electrocatalytic Oxygen Reduction Peer-reviewed
Xuan Wang, Meng Li, Pu Wang, Dongmei Sun, Linfei Ding, Hao Li, Yawen Tang, Gengtao Fu
Small Methods 2023/04/08
Publisher: WileyISSN:2366-9608
-
Transformation of a Ni<sub>3</sub>N OER precatalyst in Fe-purified and Fe-unpurified alkaline media: Revealing the reason for its superior OER activity
Kenta Kawashima, Raúl A. Márquez-Montes, Hao Li, Kihyun Shin, Chi L. Cao, Kobe M. Vo, Yoon Jun Son, Bryan R. Wygant, Adithya Chunangad, Duck Hyun Youn, Graeme A Henkelman, VÃctor H. Ramos-Sánchez, Charles B Mullins
2023/04/07
Publisher: American Chemical Society (ACS)DOI: 10.1021/scimeetings.3c00005
-
The role of single-boron of N-doped graphene for effective nitrogen reduction Peer-reviewed
Chuangwei Liu, Haoren Zheng, Tianyi Wang, Zhongyuan Guo, Fangyuan Zhu, Hongbo Xie, Gaowu Qin, Hao Li, Song Li
Journal of Materials Science & Technology 2023/04
Publisher: Elsevier {BV}DOI: 10.1016/j.jmst.2023.03.033
ISSN:1005-0302
-
The Surface States of Transition Metal X-ides under Electrocatalytic Conditions Invited Peer-reviewed
Heng Liu, Xue Jia, ANG CAO, Li Wei, Carmine D'Agostino, Hao Li
The Journal of Chemical Physics 2023/03/07
Publisher: {AIP} PublishingDOI: 10.1063/5.0147123
ISSN:0021-9606 1089-7690
-
Design of Molecular M-N-C Dual-Atom Catalysts for Nitrogen Reduction Starting from Surface State Analysis Peer-reviewed
Yuefeng Zhang, Zixun Yu, Fangxin She, Li Wei, Zhiyuan Zeng, Hao Li
Journal of Colloid and Interface Science 2023/03
Publisher: Elsevier {BV}DOI: 10.1016/j.jcis.2023.03.033
ISSN:0021-9797
-
Surface states of dual-atom catalysts should be considered for analysis of electrocatalytic activity Peer-reviewed
Weijie Yang, Zhenhe Jia, Binghui Zhou, Li Wei, zhengyang Gao, Hao Li
Communications Chemistry 6 (1) 2023/01/06
Publisher: Springer Science and Business Media {LLC}DOI: 10.1038/s42004-022-00810-4
ISSN:2399-3669
-
Electrochemically Engineered Domain: Nickel–Hydroxide/Nickel Nitride Composite for Alkaline HER Electrocatalysis Peer-reviewed
Chikaodili Emmanuel Chukwuneke, Kenta Kawashima, Hao Li, Raul A. Marquez, Yoon Jun Son, Lettie A Smith, Hugo Celio, Graeme Henkelman, Charles Mullins
Journal of Materials Chemistry A 2023
DOI: 10.1039/d3ta06408e
ISSN:2050-7488 2050-7496
-
A simple hydrothermal synthesis of oxygen vacancy-rich MnMoO4 rod-like materials and its highly efficient electrocatalytic nitrogen reduction Peer-reviewed
Huhu Yin, Xiujing Xing, Wei Zhang, Jin Li, Wei Xiong, Hao Li
Dalton Transactions 2023
Publisher: Royal Society of Chemistry ({RSC})DOI: 10.1039/d3dt03018k
ISSN:1477-9226 1477-9234
-
Identifying Hexagonal 2D Planar Electrocatalysts with Strong OCHO* Binding for Selective CO2 Reduction Peer-reviewed
Yuefeng Zhang, Tianyi Wang, Fei Wang, Huiling Zheng, Zhiyuan Zeng, Hao Li
Journal of Materials Chemistry A 2023
Publisher: Royal Society of Chemistry ({RSC})DOI: 10.1039/d3ta04714h
ISSN:2050-7488 2050-7496
-
Constructing Fe2O3 Nanoparticles in Nitrogen-doped Carbon Materials to Enhance the Electrochemical Sensing Performance of Pb2+ and Cd2+ Peer-reviewed
Shiya Wu, Renliang Lyu, Wei Xiong, Xiujing Xing, Hao Li
Dalton Transactions 2023
Publisher: Royal Society of Chemistry ({RSC})DOI: 10.1039/d3dt01664a
ISSN:1477-9226 1477-9234
-
Effects of Intermetal Distance on the Electrochemistry-induced Surface Coverage of M–N–C Dual-Atom Catalysts Invited Peer-reviewed
Weijie Yang, Zhenhe Jia, Liugang Chen, Binghui Zhou, Di Zhang, Yulan Han, Zhengyang Gao, Hao Li
Chemical Communications 2023
Publisher: Royal Society of Chemistry ({RSC})DOI: 10.1039/d3cc03208f
ISSN:1359-7345 1364-548X
-
Origin of the Superior Oxygen Reduction Activity of Zirconium Nitride in Alkaline Media Peer-reviewed
Heng Liu, Di Zhang, Stuart Holmes, Carmine D'Agostino, Hao Li
Chemical Science 2023
Publisher: Royal Society of Chemistry ({RSC})DOI: 10.1039/d3sc01827j
ISSN:2041-6520 2041-6539
-
Efficient Asymmetrical Silicon-Metal Dimer Electrocatalysts for Nitrogen Reduction Reaction Peer-reviewed
Chuangwei Liu, Haoren Zheng, Tianyi Wang, Xiaoli Zhang, Zhongyuan Guo, Hao Li
Physical Chemistry Chemical Physics 2023
Publisher: Royal Society of Chemistry ({RSC})DOI: 10.1039/d2cp05959b
ISSN:1463-9076 1463-9084
-
Opportunities and Challenges in Aqueous Nitrate and Nitrite Reduction beyond Electrocatalysis Invited Peer-reviewed
Guanling Yang, Pengfei Zhou, Jinsheng Liang, Hao Li, Fei Wang
Inorganic Chemistry Frontiers 2023
Publisher: Royal Society of Chemistry ({RSC})DOI: 10.1039/d3qi00148b
ISSN:2052-1553
-
Heterogeneous molecular Co–N–C catalysts for efficient electrochemical H<sub>2</sub>O<sub>2</sub> synthesis Peer-reviewed
Chang Liu, Zixun Yu, Fangxin She, Jiaxiang Chen, Fangzhou Liu, Jiangtao Qu, Julie M. Cairney, Chongchong Wu, Kailong Liu, Weijie Yang, Huiling Zheng, Yuan Chen, Hao Li, Li Wei
Energy & Environmental Science 2023
Publisher: Royal Society of Chemistry ({RSC})DOI: 10.1039/d2ee02734h
ISSN:1754-5692 1754-5706
-
Design of Single-Atom Catalysts for Hg<sup>0</sup> Oxidation Using H<sub>2</sub>O<sub>2</sub> Peer-reviewed
Weijie Yang, Xuelu Chen, Liugang Chen, Yajun Feng, Chongchong Wu, Xun-Lei Ding, Zhengyang Gao, Yanfeng Liu, Hao Li
The Journal of Physical Chemistry C 2022/12/12
Publisher: American Chemical Society ({ACS})ISSN:1932-7447 1932-7455
-
Interface Co‐Assembly Synthesis of Magnetic Fe <sub>3</sub> O <sub>4</sub> @mesoporous Carbon for Efficient Electrochemical Detection of Hg(II) and Pb(II) Peer-reviewed
Yuzhi Liu, Shiya Wu, Wei Xiong, Hao Li
Advanced Materials Interfaces 2201631-2201631 2022/12/03
Publisher: WileyISSN:2196-7350
-
N-doped LaPO4: An effective Pt-free catalyst for electrocatalytic oxygen reduction Peer-reviewed
Ruopeng Zhao, Ziheng Chen, Qinghua Li, Xuan Wang, Yawen Tang, Gengtao Fu, Hao Li, Jong-Min Lee, Shaoming Huang
Chem Catalysis 2022/12
Publisher: Elsevier {BV}DOI: 10.1016/j.checat.2022.11.008
ISSN:2667-1093
-
Understanding Trends in the NO Oxidation Activity of Single‐Atom Catalysts Peer-reviewed
Weijie Yang, Yajun Feng, Xuelu Chen, Chongchong Wu, Fei Wang, Zhengyang Gao, Yanfeng Liu, Xunlei Ding, Hao Li
Journal of Environmental Chemical Engineering 10 (6) 108744-108744 2022/12
Publisher: Elsevier {BV}DOI: 10.1016/j.jece.2022.108744
ISSN:2213-3437
-
Efficient and stable noble-metal-free catalyst for acidic water oxidation Peer-reviewed
Sanjiang Pan, Hao Li, Dan Liu, Rui Huang, Xuelei Pan, Dan Ren, Jun Li, Mohsen Shakouri, Qixing Zhang, Manjing Wang, Changchun Wei, Liqiang Mai, Bo Zhang, Ying Zhao, Zhenbin Wang, Michael Graetzel, Xiaodan Zhang
Nature Communications 13 (1) 2022/12
Publisher: Springer Science and Business Media {LLC}DOI: 10.1038/s41467-022-30064-6
ISSN:2041-1723
-
A spin promotion effect in catalytic ammonia synthesis Peer-reviewed
Ang Cao, Vanessa J. Bukas, Vahid Shadravan, Zhenbin Wang, Hao Li, Jakob Kibsgaard, Ib Chorkendorff, Jens K. N{\o}rskov
Nature Communications 13 (1) 2022/12
Publisher: Springer Science and Business Media {LLC}DOI: 10.1038/s41467-022-30034-y
ISSN:2041-1723
-
Improving the Oxygen Evolution Activity of Layered Double‐Hydroxide via Erbium‐Induced Electronic Engineering Peer-reviewed
Yu Zhu, Xuan Wang, Xiaoheng Zhu, Zixin Wu, Dongsheng Zhao, Fei Wang, Dongmei Sun, Yawen Tang, Hao Li, Gengtao Fu
Small 2206531-2206531 2022/11/29
Publisher: WileyISSN:1613-6810 1613-6829
-
Challenges and Opportunities of Transition Metal Oxides as Electrocatalysts Invited Peer-reviewed
Wei Xiong, Huhu Yin, Tianxing Wu, Hao Li
Chemistry – A European Journal 2022/11/13
Publisher: WileyISSN:0947-6539 1521-3765
-
Bottom-to-Up Synthesis of Functional Carbon Nitride Polymer: Design Principles, Controlled Synthesis and Applications Peer-reviewed
Yunxiong Zeng, Xingyu Zhan, Hao Li, Xingyu Xiong, Bo Hong, yingchun xia, Yangbin Ding, Xinqing Wang
European Polymer Journal 111734-111734 2022/11
Publisher: Elsevier {BV}DOI: 10.1016/j.eurpolymj.2022.111734
ISSN:0014-3057
-
Insights into the Fe oxidation state of sphere-like Fe2O3 nanoparticles for simultaneous Pb2+ and Cu2+ detection Peer-reviewed
Shiya Wu, Wei Xiong, Hao Li
Journal of Alloys and Compounds 167863-167863 2022/11
Publisher: Elsevier {BV}DOI: 10.1016/j.jallcom.2022.167863
ISSN:0925-8388
-
Coordination Engineering of Single‐Atom Iron Catalysts for Oxygen Evolution Reaction Peer-reviewed
Weijie Yang, Binghui Zhou, Zhenhe Jia, Chongchong Wu, Li Wei, Zhengyang Gao, Hao Li
ChemCatChem 2022/10/26
Publisher: WileyISSN:1867-3880 1867-3899
-
A WS2/sepiolite composite with highly dispersed WS2 nanosheets for photocatalytic wastewater treatment Peer-reviewed
Xinlei Xie, Yulei Wang, Ming Hao, Penji Yan, Jinsheng Liang, Dongxu Wang, Hao Li, Fei Wang
Applied Clay Science 228 106576-106576 2022/10
Publisher: Elsevier {BV}DOI: 10.1016/j.clay.2022.106576
ISSN:0169-1317
-
Boosting Electrocatalytic Reduction of CO <sub>2</sub> to HCOOH on Ni Single Atom Anchored WTe <sub>2</sub> Monolayer Invited Peer-reviewed
Yuefeng Zhang, Ruijie Yang, Hao Li, Zhiyuan Zeng
Small 2203759-2203759 2022/09/19
Publisher: WileyISSN:1613-6810 1613-6829
-
A simple fabrication of mineral supported Ni-NiAl2O4 nanocomposites with a novel transition layer Peer-reviewed
Xiaohan Xu, Yulei Wang, Ming Hao, Jiaxuan Bai, Baizeng Fang, Jinsheng Liang, Peizhang Gao, Youpeng Ding, Hao Li, Fei Wang
Materials Characterization 112194-112194 2022/08
Publisher: Elsevier {BV}DOI: 10.1016/j.matchar.2022.112194
ISSN:1044-5803
-
d-Band Center Optimization of Iron Carbide via Cr Substitution for Enhanced Alkaline Hydrogen Evolution Peer-reviewed
Yu Zhang, Yuefeng Zhang, Bin Tian, Hao Li, Zhiyuan Zeng, Derek Ho
Materials Today Energy 101133-101133 2022/08
Publisher: Elsevier {BV}DOI: 10.1016/j.mtener.2022.101133
ISSN:2468-6069
-
Design strategy of bifunctional catalysts for CO oxidation Peer-reviewed
Yulu Liu, Chenghua Xu, Wanglai Cen, Hao Li
Fuel 320 123909-123909 2022/07
Publisher: Elsevier {BV}DOI: 10.1016/j.fuel.2022.123909
ISSN:0016-2361
-
Rare‐Earth Single‐Atom Catalysts: A New Frontier in Photo/Electrocatalysis Peer-reviewed
Xuan Wang, Yu Zhu, Hao Li, Jong-Min Lee, Yawen Tang, Gengtao Fu
Small Methods 2200413-2200413 2022/06/25
Publisher: WileyISSN:2366-9608
-
Layer structured materials for ambient nitrogen fixation Peer-reviewed
Yang Fu, Yuan Liao, Peng Li, Hui Li, Shuaiyu Jiang, Hongwei Huang, Wenping Sun, Tianyan Li, Hai Yu, Kangkang Li, Hao Li, Baohua Jia, Tianyi Ma
Coordination Chemistry Reviews 460 214468-214468 2022/06
Publisher: Elsevier {BV}DOI: 10.1016/j.ccr.2022.214468
ISSN:0010-8545
-
Integrating Covalent Organic Framework with Transition Metal Phosphide for Noble‐Metal‐Free Visible‐Light‐Driven Photocatalytic H <sub>2</sub> Evolution Peer-reviewed
Ge Yan, Xiaodong Sun, Kailai Zhang, Yu Zhang, Hui Li, Yuhai Dou, Ding Yuan, Hongwei Huang, Baohua Jia, Hao Li, Tianyi Ma
Small 2201340-2201340 2022/05/25
Publisher: WileyISSN:1613-6810 1613-6829
-
Transient Solid‐State Laser Activation of Indium for High‐Performance Reduction of CO <sub>2</sub> to Formate Peer-reviewed
Weihua Guo, Yuefeng Zhang, Jianjun Su, Yun Song, Libei Huang, Le Cheng, Xiaohu Cao, Yubing Dou, Yangbo Ma, Chenyan Ma, He Zhu, Tingting Zheng, Zhaoyu Wang, Hao Li, Zhanxi Fan, Qi Liu, Zhiyuan Zeng, Juncai Dong, Chuan Xia, Ben Zhong Tang, Ruquan Ye
Small 2201311-2201311 2022/05/13
Publisher: WileyISSN:1613-6810 1613-6829
-
Electrocatalytic ammonia synthesis catalyzed by mesoporous nickel oxide nanosheets loaded with Pt nanoparticles Invited Peer-reviewed
Wei Xiong, Min Zhou, Hao Li, Zhao Ding, Da Zhang, Yaokang Lv
Chinese Journal of Catalysis 43 (5) 1371-1378 2022/05
Publisher: Elsevier {BV}DOI: 10.1016/s1872-2067(21)63877-9
ISSN:1872-2067
-
Gold boosts nitrate reduction and deactivation resistance to indium-promoted palladium catalysts Peer-reviewed
Sujin Guo, Hao Li, Kimberly N. Heck, Xinying Luan, Wenhua Guo, Graeme Henkelman, Michael S. Wong
Applied Catalysis B: Environmental 305 121048-121048 2022/05
Publisher: Elsevier {BV}DOI: 10.1016/j.apcatb.2021.121048
ISSN:0926-3373
-
Direct in situ vertical growth of interlaced mesoporous NiO nanosheets on carbon felt for electrocatalytic ammonia synthesis Peer-reviewed
Wei Xiong, Min Zhou, Xiaoyan Huang, Weijie Yang, Da Zhang, Yaokang Lv, Hao Li
Chemistry – A European Journal 2022/04/12
Publisher: WileyISSN:0947-6539 1521-3765
-
Dynamic active sites on plasma engraved Ni hydroxide for enhanced electro-catalytic urea oxidation Peer-reviewed
Dan Li, Yuefeng Zhang, Xiaomin Zhou, Chao Huang, Ying Wen, Liangliang Liu, Qingwei Li, Yue Xu, Yuzheng Wu, Qingdong Ruan, Yinghe Ma, Fangyu Xiong, Dezhi Xiao, Pei Liu, Guomin Wang, Babak Mehrjou, Bin Wang, Hao Li, Rongsheng Chen, Hongwei Ni, Zhiyuan Zeng, Paul K. Chu
Journal of Energy Chemistry 2022/04
Publisher: Elsevier {BV}DOI: 10.1016/j.jechem.2022.03.040
ISSN:2095-4956
-
Three‐In‐One Alkylamine‐Tuned MoO <i> <sub>x</sub> </i> for Lab‐Scale to Real‐Life Aqueous Supercapacitors Peer-reviewed
Xu Han, Chongchong Wu, Hao Li, Yusheng Zhang, Wenping Sun, Baohua Jia, Ian D. Gates, Zi-Hang Huang, Tianyi Ma
Advanced Functional Materials 2113209-2113209 2022/03/08
Publisher: WileyISSN:1616-301X 1616-3028
-
Opportunities and Challenges in Electrolytic Propylene Epoxidation Peer-reviewed
Hao Li, Christina Susan Abraham, Megha An, Ang Cao, Jens K. N{\o}rskov
The Journal of Physical Chemistry Letters 2057-2063 2022/02/25
Publisher: American Chemical Society ({ACS})DOI: 10.1021/acs.jpclett.2c00257
ISSN:1948-7185
-
Exploring the Effects of Ionic Defects on the Stability of CsPbI <sub>3</sub> with a Deep Learning Potential Peer-reviewed
Weijie Yang, Jiajia Li, Xuelu Chen, Yajun Feng, Chongchong Wu, Ian D. Gates, Zhengyang Gao, Xunlei Ding, Jianxi Yao, Hao Li
ChemPhysChem 2022/02/23
Publisher: WileyISSN:1439-4235 1439-7641
-
Stability and Activity of Cobalt Antimonate for Oxygen Reduction in Strong Acid Peer-reviewed
Lan Zhou, Hao Li, Yungchieh Lai, Matthias Richter, Kevin Kan, Joel A. Haber, Sara Kelly, Zhenbin Wang, Yubing Lu, R. Soyoung Kim, Xiang Li, Junko Yano, Jens K. N{\o}rskov, John M. Gregoire
ACS Energy Letters 993-1000 2022/02/16
Publisher: American Chemical Society ({ACS})DOI: 10.1021/acsenergylett.1c02673
ISSN:2380-8195
-
The “Burst Effect” of Hydrogen Desorption in MgH2 Dehydrogenation Peer-reviewed
Shuai Dong, Chaoqun Li, Jinhui Wang, Hao Liu, Zhao Ding, Zhengyang Gao, Weijie Yang, Wei Lv, Li Wei, Ying Wu, Hao Li
Journal of Materials Chemistry A 2022
Publisher: Royal Society of Chemistry ({RSC})DOI: 10.1039/d2ta06458h
ISSN:2050-7488 2050-7496
-
New challenges in oxygen reduction catalysis: a consortium retrospective to inform future research Peer-reviewed
Michaela Burke Stevens, Megha An, Melissa Ellen Kreider, Eliza K Price, José Andres Zamora Zeledón, Liang Wang, Jiayu Peng, Hao Li, John Gregoire, Jens Strabo Hummelshøj, Thomas Jaramillo, Hongfei Jia, Jens Kehlet Norskov, Yang Shao-Horn, Brian Storey, Yuriy Roman-Leshkov, Santosh Karthik Suram, Steven Bartholomew Torrisi, Joseph Harold Montoya
Energy & Environmental Science 2022
Publisher: Royal Society of Chemistry ({RSC})DOI: 10.1039/d2ee01333a
ISSN:1754-5692 1754-5706
-
MgH2/Single-Atom Heterojunctions: Effective Hydrogen Storage Materials with Facile Dehydrogenation Invited Peer-reviewed
Shuai Dong, Chaoqun Li, Erfei Lv, Jinhui Wang, Hao Liu, Zhengyang Gao, Wei Xiong, Zhao Ding, Weijie Yang, Hao Li
Journal of Materials Chemistry A 2022
Publisher: Royal Society of Chemistry ({RSC})DOI: 10.1039/d2ta02111k
ISSN:2050-7488 2050-7496
-
Understanding Trends in the Mercury Oxidation Activity of Single-Atom Catalysts Peer-reviewed
Weijie Yang, Xuelu Chen, Yajun Feng, Fei Wang, Zhengyang Gao, Yanfeng Liu, Xun-Lei Ding, Hao Li
Environmental Science: Nano 2022
Publisher: Royal Society of Chemistry ({RSC})DOI: 10.1039/d2en00286h
ISSN:2051-8153 2051-8161
-
Design of 3d Transition Metal Anchored B5N3 Catalysts for Electrochemical CO2 Reduction to Methane Peer-reviewed
Yuefeng Zhang, Zhiyuan Zeng, Hao Li
Journal of Materials Chemistry A 2022
Publisher: Royal Society of Chemistry ({RSC})DOI: 10.1039/d2ta00941b
ISSN:2050-7488 2050-7496
-
Tracking the redox reaction-induced reconstruction of NiAu nanoparticles via environmental scanning transmission electron microscopy Peer-reviewed
Ming Hao, Hao Li, Wei Liu, Tianyi Ma, Jinsheng Liang, Kai Sun, Hiroaki Matsumoto, Fei Wang
Nanoscale 2022
Publisher: Royal Society of Chemistry ({RSC})DOI: 10.1039/d1nr07188b
ISSN:2040-3364 2040-3372
-
Iminodiacetonitrile induce-synthesis of two-dimensional PdNi/Ni@carbon nanosheets with uniform dispersion and strong interface bonding as an effective bifunctional eletrocatalyst in air-cathode Peer-reviewed
Zhijuan Li, Hao Li, Meng Li, Jinrui Hu, Yuanyuan Liu, Dongmei Sun, Gengtao Fu, Yawen Tang
Energy Storage Materials 42 118-128 2021/11
Publisher: Elsevier {BV}DOI: 10.1016/j.ensm.2021.07.027
ISSN:2405-8297
-
Understanding Trends in Ethylene Epoxidation on Group IB Metals Peer-reviewed
Hao Li, Ang Cao, Jens K. N{\o}rskov
ACS Catalysis 12052-12057 2021/09/14
Publisher: American Chemical Society ({ACS})ISSN:2155-5435
-
New insights on CO and CO2 hydrogenation for methanol synthesis: The key role of adsorbate-adsorbate interactions on Cu and the highly active MgO-Cu interface Peer-reviewed
Ang Cao, Zhenbin Wang, Hao Li, Ahmed O. Elnabawy, Jens K. N{\o}rskov
Journal of Catalysis 400 325-331 2021/08
Publisher: Elsevier {BV}DOI: 10.1016/j.jcat.2021.06.020
ISSN:0021-9517
-
Factors that influence hydrogen binding at metal-atop sites Peer-reviewed
Huiling Zheng, Hao Li, Long Luo, Zhen Zhao, Graeme Henkelman
The Journal of Chemical Physics 155 (2) 024703-024703 2021/07/14
Publisher: {AIP} PublishingDOI: 10.1063/5.0056774
ISSN:0021-9606 1089-7690
-
Calculations of Hydrogen Associative Desorption on Mono- and Bimetallic Catalysts Peer-reviewed
Huiling Zheng, Hao Li, Weiyu Song, Zhen Zhao, Graeme Henkelman
The Journal of Physical Chemistry C 125 (22) 12028-12037 2021/06/10
Publisher: American Chemical Society ({ACS})ISSN:1932-7447 1932-7455
-
Sulfidized Nanoscale Zero-Valent Iron: Tuning the Properties of This Complex Material for Efficient Groundwater Remediation Invited Peer-reviewed
Jiang Xu, Hao Li, Gregory V. Lowry
Accounts of Materials Research 2021/06/01
Publisher: American Chemical Society ({ACS})DOI: 10.1021/accountsmr.1c00037
ISSN:2643-6728
-
Analysis of the limitations in the oxygen reduction activity of transition metal oxide surfaces Peer-reviewed
Hao Li, Sara Kelly, Dan Guevarra, Zhenbin Wang, Yu Wang, Joel A. Haber, Megha An, G. T. Kasun Kalhara Gunasooriya, Christina Susan Abraham, Sudarshan Vijay, John M. Gregoire, Jens K. N{\o}rskov
Nature Catalysis 2021/05/24
Publisher: Springer Science and Business Media {LLC}DOI: 10.1038/s41929-021-00618-w
ISSN:2520-1158
-
Higher photocatalytic removal of organic pollutants using pangolin-like composites made of 3–4 atomic layers of MoS2 nanosheets deposited on tourmaline Peer-reviewed
Ming Hao, Hao Li, Li Cui, Wei Liu, Baizeng Fang, Jinsheng Liang, Xinlei Xie, Dongxu Wang, Fei Wang
Environmental Chemistry Letters 2021/05/04
Publisher: Springer Science and Business Media {LLC}DOI: 10.1007/s10311-021-01235-6
ISSN:1610-3653 1610-3661
-
3d Transition‐Metal‐Mediated Columbite Nanocatalysts for Decentralized Electrosynthesis of Hydrogen Peroxide Peer-reviewed
Chang Liu, Hao Li, Junsheng Chen, Zixun Yu, Qiang Ru, Shuzhou Li, Graeme Henkelman, Li Wei, Yuan Chen
Small 17 (13) 2007249-2007249 2021/04
Publisher: WileyISSN:1613-6810 1613-6829
-
An electro-activated bimetallic zinc-nickel hydroxide cathode for supercapacitor with super-long 140,000 cycle durability Peer-reviewed
Zi-Hang Huang, Fang-Fang Sun, Zhong-Yong Yuan, Wenping Sun, Baohua Jia, Hui Li, Hao Li, Tianyi Ma
Nano Energy 82 105727-105727 2021/04
Publisher: Elsevier {BV}DOI: 10.1016/j.nanoen.2020.105727
ISSN:2211-2855
-
Li–Zn Overlayer to Facilitate Uniform Lithium Deposition for Lithium Metal Batteries Peer-reviewed
Qiulin Chen, Hao Li, Melissa L. Meyerson, Rodrigo Rodriguez, Kenta Kawashima, Jason A. Weeks, Hohyun Sun, Qingshui Xie, Jie Lin, Graeme Henkelman, Adam Heller, Dong-Liang Peng, C. Buddie Mullins
ACS Applied Materials & Interfaces 13 (8) 9985-9993 2021/03/03
Publisher: American Chemical Society ({ACS})ISSN:1944-8244 1944-8252
eISSN:1944-8252
-
Co–Fe–Cr (oxy)Hydroxides as Efficient Oxygen Evolution Reaction Catalysts Peer-reviewed
Junsheng Chen, Hao Li, Shuangming Chen, Jingyuan Fei, Chang Liu, Zixun Yu, Kihyun Shin, Zongwen Liu, Li Song, Graeme Henkelman, Li Wei, Yuan Chen
Advanced Energy Materials 11 (11) 2003412-2003412 2021/03
Publisher: WileyISSN:1614-6832 1614-6840
-
One-Dimensional van der Waals Heterostructures as Efficient Metal-Free Oxygen Electrocatalysts Peer-reviewed
Chang Liu, Fei Liu, Hao Li, Junsheng Chen, Jingyuan Fei, Zixun Yu, Ziwen Yuan, Chaojun Wang, Huiling Zheng, Zongwen Liu, Meiying Xu, Graeme Henkelman, Li Wei, Yuan Chen
ACS Nano 15 (2) 3309-3319 2021/02/23
Publisher: American Chemical Society ({ACS})ISSN:1936-0851 1936-086X
-
Unveiling the Role of Sulfur in Rapid Defluorination of Florfenicol by Sulfidized Nanoscale Zero-Valent Iron in Water under Ambient Conditions Peer-reviewed
Zhen Cao, Hao Li, Gregory V. Lowry, Xiaoyang Shi, Xiangcheng Pan, Xinhua Xu, Graeme Henkelman, Jiang Xu
Environmental Science & Technology 55 (4) 2628-2638 2021/02/16
Publisher: American Chemical Society ({ACS})ISSN:0013-936X 1520-5851
-
Relations between Surface Oxygen Vacancies and Activity of Methanol Formation from CO2 Hydrogenation over In2O3 Surfaces Peer-reviewed
Ang Cao, Zhenbin Wang, Hao Li, Jens K. N{\o}rskov
ACS Catalysis 11 (3) 1780-1786 2021/02/05
Publisher: American Chemical Society ({ACS})ISSN:2155-5435
-
Properties and reactivity of sulfidized nanoscale zero-valent iron prepared with different borohydride amounts Peer-reviewed
Zhen Cao, Hao Li, Shuangyu Zhang, Yunxuan Hu, Jiang Xu, Xinhua Xu
Environmental Science: Nano 2021
Publisher: Royal Society of Chemistry ({RSC})DOI: 10.1039/d1en00364j
ISSN:2051-8153 2051-8161
-
Origin of the hydrophobicity of sulfur-containing iron surfaces Peer-reviewed
Hao Li, Weijie Yang, Chongchong Wu, Jiang Xu
Physical Chemistry Chemical Physics 2021
Publisher: Royal Society of Chemistry ({RSC})DOI: 10.1039/d1cp00588j
ISSN:1463-9076 1463-9084
-
Methane Activation on Dual-Atom Catalysts Supported on Graphene Invited Peer-reviewed
Chongchong Wu, Weijie Yang, Jingyi Wang, Hao Li, Ian D. Gates
Chemical Communications 2021
Publisher: Royal Society of Chemistry ({RSC})DOI: 10.1039/d1cc05701d
ISSN:1359-7345 1364-548X
-
Electrochemical behavior of a Ni3N OER precatalyst in Fe-purified alkaline media: the impact of self-oxidation and Fe incorporation Peer-reviewed
Kenta Kawashima, Ra{\'{u } }l A. M{\'{a } }rquez-Montes, Hao Li, Kihyun Shin, Chi L. Cao, Kobe M. Vo, Yoon Jun Son, Bryan R. Wygant, Adithya Chunangad, Duck Hyun Youn, Graeme Henkelman, V{\'{\i } }ctor H. Ramos-S{\'{a } }nchez, C. Buddie Mullins
Materials Advances 2 (7) 2299-2309 2021
Publisher: Royal Society of Chemistry ({RSC})DOI: 10.1039/d1ma00130b
ISSN:2633-5409
eISSN:2633-5409
-
Emulsion-template synthesis of mesoporous nickel oxide nanoflowers composed of crossed nanosheets for effective nitrogen reduction Peer-reviewed
Min Zhou, Wei Xiong, Hao Li, Da Zhang, Yaokang Lv
Dalton Transactions 50 (17) 5835-5844 2021
Publisher: Royal Society of Chemistry ({RSC})DOI: 10.1039/d1dt00213a
ISSN:1477-9226 1477-9234
-
A small change in the local atomic environment for a big improvement in single-atom catalysis Peer-reviewed
Hao Li, Bing Yu, Zechao Zhuang, Wenping Sun, Baohua Jia, Tianyi Ma
Journal of Materials Chemistry A 9 (7) 4184-4192 2021
Publisher: Royal Society of Chemistry ({RSC})DOI: 10.1039/d0ta10823e
ISSN:2050-7488 2050-7496
-
Gd-induced electronic structure engineering of a NiFe-layered double hydroxide for efficient oxygen evolution Peer-reviewed
Meng Li, Hao Li, Xuechun Jiang, Mengqi Jiang, Xun Zhan, Gengtao Fu, Jong-Min Lee, Yawen Tang
Journal of Materials Chemistry A 9 (5) 2999-3006 2021
Publisher: Royal Society of Chemistry ({RSC})DOI: 10.1039/d0ta10740a
ISSN:2050-7488 2050-7496
-
Intrinsic Activity of Metal Centers in Metal–Nitrogen–Carbon Single-Atom Catalysts for Hydrogen Peroxide Synthesis Peer-reviewed
Chang Liu, Hao Li, Fei Liu, Junsheng Chen, Zixun Yu, Ziwen Yuan, Chaojun Wang, Huiling Zheng, Graeme Henkelman, Li Wei, Yuan Chen
Journal of the American Chemical Society 142 (52) 21861-21871 2020/12/30
Publisher: American Chemical Society ({ACS})DOI: 10.1021/jacs.0c10636
ISSN:0002-7863 1520-5126
-
Electrical and Structural Dual Function of Oxygen Vacancies for Promoting Electrochemical Capacitance in Tungsten Oxide Peer-reviewed
Zi-Hang Huang, Hao Li, Wen-Han Li, Graeme Henkelman, Baohua Jia, Tianyi Ma
Small 16 (52) 2004709-2004709 2020/12
Publisher: WileyISSN:1613-6810 1613-6829
-
Hydrogen generation during the purification of metallurgical-grade silicon Peer-reviewed
Ning Tan, Hao Li, Zhao Ding, Kuixian Wei, Wenhui Ma, D, an Wu, Shifeng Han
International Journal of Hydrogen Energy 2020/11
Publisher: Elsevier {BV}DOI: 10.1016/j.ijhydene.2020.10.117
ISSN:0360-3199
-
Octahedral Coordinated Trivalent Cobalt Enriched Multimetal Oxygen‐Evolution Catalysts Peer-reviewed
Junsheng Chen, Hao Li, Zixun Yu, Chang Liu, Ziwen Yuan, Chaojun Wang, Shenlong Zhao, Graeme Henkelman, Shuzhou Li, Li Wei, Yuan Chen
Advanced Energy Materials 10 (43) 2002593-2002593 2020/11
Publisher: WileyISSN:1614-6832 1614-6840
-
Dechlorination and defluorination capability of sulfidized nanoscale zerovalent iron with suppressed water reactivity Peer-reviewed
Zhen Cao, Jiang Xu, Hao Li, Tianyi Ma, Liping Lou, Graeme Henkelman, Xinhua Xu
Chemical Engineering Journal 400 125900-125900 2020/11
Publisher: Elsevier {BV}DOI: 10.1016/j.cej.2020.125900
ISSN:1385-8947
-
Iron and Sulfur Precursors Affect Crystalline Structure, Speciation, and Reactivity of Sulfidized Nanoscale Zerovalent Iron Peer-reviewed
Jiang Xu, Astrid Avellan, Hao Li, Elizabeth A. Clark, Graeme Henkelman, Rälf Kaegi, Gregory V. Lowry
Environmental Science & Technology 54 (20) 13294-13303 2020/10/20
Publisher: American Chemical Society ({ACS})ISSN:0013-936X 1520-5851
-
Co3O4 Nanocrystals with an Oxygen Vacancy-Rich and Highly Reactive (222) Facet on Carbon Nitride Scaffolds for Efficient Photocatalytic Oxygen Evolution Peer-reviewed
Yunxiong Zeng, Hao Li, Yingchun Xia, Longlu Wang, Kai Yin, Yuanfeng Wei, Xia Liu, Shenglian Luo
ACS Applied Materials & Interfaces 12 (40) 44608-44616 2020/10/07
Publisher: American Chemical Society ({ACS})ISSN:1944-8244 1944-8252
-
Evaluation of a V8C7 Anode for Oxygen Evolution in Alkaline Media: Unusual Morphological Behavior Peer-reviewed
Kenta Kawashima, Chi L. Cao, Hao Li, Ra{\'{u } }l A. M{\'{a } }rquez-Montes, Bryan R. Wygant, Yoon Jun Son, Joseph V. Guerrera, Graeme Henkelman, C. Buddie Mullins
ACS Sustainable Chemistry & Engineering 8 (37) 14101-14108 2020/09/21
Publisher: American Chemical Society ({ACS})DOI: 10.1021/acssuschemeng.0c04759
ISSN:2168-0485
eISSN:2168-0485
-
Correlating surface chemistry and hydrophobicity of sulfidized nanoscale zerovalent iron with its reactivity and selectivity for denitration and dechlorination Peer-reviewed
Zhen Cao, Hao Li, Xinhua Xu, Jiang Xu
Chemical Engineering Journal 394 124876-124876 2020/08
Publisher: Elsevier {BV}DOI: 10.1016/j.cej.2020.124876
ISSN:1385-8947
-
PdAg Alloy Nanocatalysts: Toward Economically Viable Nitrite Reduction in Drinking Water Peer-reviewed
Jacob P. Troutman, Hao Li, Alison M. Haddix, Benjamin A. Kienzle, Graeme Henkelman, Simon M. Humphrey, Charles J. Werth
ACS Catalysis 10 (14) 7979-7989 2020/07/17
Publisher: American Chemical Society ({ACS})ISSN:2155-5435
-
CuxIr1–x Nanoalloy Catalysts Achieve Near 100% Selectivity for Aqueous Nitrite Reduction to NH3 Peer-reviewed
Hao Li, Chenxu Yan, Hongyu Guo, Kihyun Shin, Simon M. Humphrey, Charles J. Werth, Graeme Henkelman
ACS Catalysis 10 (14) 7915-7921 2020/07/17
Publisher: American Chemical Society ({ACS})ISSN:2155-5435
-
Identify Zr Promotion Effects in Atomic Scale for Co-Based Catalysts in Fischer–Tropsch Synthesis Peer-reviewed
Yuang Piao, Qian Jiang, Hao Li, Hiroaki Matsumoto, Jinsheng Liang, Wei Liu, Cuong Pham-Huu, Yuefeng Liu, Fei Wang
ACS Catalysis 10 (14) 7894-7906 2020/07/17
Publisher: American Chemical Society ({ACS})ISSN:2155-5435
-
Dual Single‐Atomic Ni‐N 4 and Fe‐N 4 Sites Constructing Janus Hollow Graphene for Selective Oxygen Electrocatalysis Peer-reviewed
Jiangyue Chen, Hao Li, Chuang Fan, Qingwei Meng, Yawen Tang, Xiaoyu Qiu, Gengtao Fu, Tianyi Ma
Advanced Materials 32 (30) 2003134-2003134 2020/07
Publisher: WileyISSN:0935-9648 1521-4095
-
Pair-distribution-function guided optimization of fingerprints for atom-centered neural network potentials Peer-reviewed
Lei Li, Hao Li, Ieuan D. Seymour, Lucas Koziol, Graeme Henkelman
The Journal of Chemical Physics 152 (22) 224102-224102 2020/06/14
Publisher: {AIP} PublishingDOI: 10.1063/5.0007391
ISSN:0021-9606 1089-7690
-
Recent advances in carbon dioxide utilization Peer-reviewed
Zhien Zhang, Shu-Yuan Pan, Hao Li, Jianchao Cai, Abdul Ghani Olabi, Edward John Anthony, Vasilije Manovic
Renewable and Sustainable Energy Reviews 125 109799-109799 2020/06
Publisher: Elsevier {BV}DOI: 10.1016/j.rser.2020.109799
ISSN:1364-0321
-
Hydrogen coverage dependent C C hydrogenation activity on Rh(1 1 1) Peer-reviewed
Hao Li, Zhao Ding
Chemical Physics Letters 746 137287-137287 2020/05
Publisher: Elsevier {BV}DOI: 10.1016/j.cplett.2020.137287
ISSN:0009-2614
-
Sulfur Loading and Speciation Control the Hydrophobicity, Electron Transfer, Reactivity, and Selectivity of Sulfidized Nanoscale Zerovalent Iron Peer-reviewed
Jiang Xu, Astrid Avellan, Hao Li, Xitong Liu, Vincent Noël, Zimo Lou, Yan Wang, Rälf Kaegi, Graeme Henkelman, Gregory V. Lowry
Advanced Materials 32 (17) 1906910-1906910 2020/04
Publisher: WileyISSN:0935-9648 1521-4095
-
New insights into the solid-state hydrogen storage of nanostructured LiBH4-MgH2 system Peer-reviewed
Zhao Ding, Hao Li, Leon Shaw
Chemical Engineering Journal 385 123856-123856 2020/04
Publisher: Elsevier {BV}DOI: 10.1016/j.cej.2019.123856
ISSN:1385-8947
-
Catalytic reactions at alloy surfaces
Li, Hao
2020/03/27
Publisher: The University of Texas at AustinDOI: 10.26153/TSW/8356
-
Tuning the Catalytic Preference of Ruthenium Catalysts for Nitrogen Reduction by Atomic Dispersion Peer-reviewed
Bing Yu, Hao Li, Jai White, Scott Donne, Jiabao Yi, Shibo Xi, Yang Fu, Graeme Henkelman, Hai Yu, Zuliang Chen, Tianyi Ma
Advanced Functional Materials 30 (6) 1905665-1905665 2020/02
Publisher: WileyISSN:1616-301X 1616-3028
-
Thiocyanate-Modified Silver Nanofoam for Efficient CO2 Reduction to CO Peer-reviewed
Li Wei, Hao Li, Junsheng Chen, Ziwen Yuan, Qianwei Huang, Xiaozhou Liao, Graeme Henkelman, Yuan Chen
ACS Catalysis 10 (2) 1444-1453 2020/01/17
Publisher: American Chemical Society ({ACS})ISSN:2155-5435
-
Mechanism of hydrogen storage on Fe3B Peer-reviewed
Zhao Ding, Hao Li, Ge Yan, Weijie Yang, Zhengyang Gao, Wenhui Ma, Leon Shaw
Chemical Communications 56 (91) 14235-14238 2020
Publisher: Royal Society of Chemistry ({RSC})DOI: 10.1039/d0cc03741a
ISSN:1359-7345 1364-548X
-
Effects of a conductive support on the bonding of oxygen containing molecules to transition metal oxide surfaces Peer-reviewed
Hao Li, Jens K. N{\o}rskov
Physical Chemistry Chemical Physics 22 (45) 26216-26222 2020
Publisher: Royal Society of Chemistry ({RSC})DOI: 10.1039/d0cp04536e
ISSN:1463-9076 1463-9084
-
Computational design of (100) alloy surfaces for the hydrogen evolution reaction Invited Peer-reviewed
Hao Li, Shaopeng Xu, Min Wang, Ziheng Chen, Fengfeng Ji, Kewei Cheng, Zhengyang Gao, Zhao Ding, Weijie Yang
Journal of Materials Chemistry A 8 (35) 17987-17997 2020
Publisher: Royal Society of Chemistry ({RSC})DOI: 10.1039/d0ta04615a
ISSN:2050-7488 2050-7496
-
Testing the predictive power of theory for PdxIr(100−x) alloy nanoparticles for the oxygen reduction reaction Peer-reviewed
Hongyu Guo, Jamie A. Trindell, Hao Li, Desiree Fern, ez, Simon M. Humphrey, Graeme Henkelman, Richard M. Crooks
Journal of Materials Chemistry A 8 (17) 8421-8429 2020
Publisher: Royal Society of Chemistry ({RSC})DOI: 10.1039/c9ta13711d
ISSN:2050-7488 2050-7496
-
Catalytic activity atlas of ternary Co–Fe–V metal oxides for the oxygen evolution reaction Invited Peer-reviewed
Junsheng Chen, Hao Li, Zengxia Pei, Qianwei Huang, Ziwen Yuan, Chaojun Wang, Xiaozhou Liao, Graeme Henkelman, Yuan Chen, Li Wei
Journal of Materials Chemistry A 8 (31) 15951-15961 2020
Publisher: Royal Society of Chemistry ({RSC})DOI: 10.1039/d0ta04088f
ISSN:2050-7488 2050-7496
-
Nitrogen-doped phosphorene for electrocatalytic ammonia synthesis Invited Peer-reviewed
Guangrui Xu, Hao Li, Abdulaziz S. R. Bati, Munkhjargal Bat-Erdene, Md J. Nine, Dusan Losic, Yu Chen, Joseph G. Shapter, Munkhbayar Batmunkh, Tianyi Ma
Journal of Materials Chemistry A 8 (31) 15875-15883 2020
Publisher: Royal Society of Chemistry ({RSC})DOI: 10.1039/d0ta03237a
ISSN:2050-7488 2050-7496
-
Stabilizer-Free CuIr Alloy Nanoparticle Catalysts Peer-reviewed
Hongyu Guo, Hao Li, Desiree Fern, ez, Scott Willis, Karalee Jarvis, Graeme Henkelman, Simon M. Humphrey
Chemistry of Materials 31 (24) 10225-10235 2019/12/24
Publisher: American Chemical Society ({ACS})DOI: 10.1021/acs.chemmater.9b04138
ISSN:0897-4756 1520-5002
-
Rational Design of Rhodium–Iridium Alloy Nanoparticles as Highly Active Catalysts for Acidic Oxygen Evolution Peer-reviewed
Hongyu Guo, Zhiwei Fang, Hao Li, Desiree Fern, ez, Graeme Henkelman, Simon M. Humphrey, Guihua Yu
ACS Nano 13 (11) 13225-13234 2019/11/26
Publisher: American Chemical Society ({ACS})ISSN:1936-0851 1936-086X
-
The adsorption and activation of oxygen molecule on nickel clusters doped graphene-based support by DFT Peer-reviewed
Zhengyang Gao, Ang Li, Xiang Li, Xiaoshuo Liu, Chuanzhi Ma, Jianmeng Yang, Weijie Yang, Hao Li
Molecular Catalysis 477 110547-110547 2019/10
Publisher: Elsevier {BV}DOI: 10.1016/j.mcat.2019.110547
ISSN:2468-8231
-
Design of a Pd–Au Nitrite Reduction Catalyst by Identifying and Optimizing Active Ensembles Peer-reviewed
Hao Li, Sujin Guo, Kihyun Shin, Michael S. Wong, Graeme Henkelman
ACS Catalysis 9 (9) 7957-7966 2019/09/06
Publisher: American Chemical Society ({ACS})ISSN:2155-5435
-
Prediction of CO2 absorption by physical solvents using a chemoinformatics-based machine learning model Peer-reviewed
Hao Li, Dan Yan, Zhien Zhang, Eric Lichtfouse
Environmental Chemistry Letters 17 (3) 1397-1404 2019/09
Publisher: Springer Science and Business Media {LLC}DOI: 10.1007/s10311-019-00874-0
ISSN:1610-3653 1610-3661
-
Sea-urchin-structure g-C3N4 with narrow bandgap (˜2.0 eV) for efficient overall water splitting under visible light irradiation Peer-reviewed
Yunxiong Zeng, Hao Li, Jinming Luo, Jili Yuan, Longlu Wang, Chengbin Liu, Yingchun Xia, Meijun Liu, Shenglian Luo, Tao Cai, Su Liu, John C. Crittenden
Applied Catalysis B: Environmental 249 275-281 2019/07
Publisher: Elsevier {BV}DOI: 10.1016/j.apcatb.2019.03.010
ISSN:0926-3373
-
Oxidative Cross-Esterification and Related Pathways of Co-Adsorbed Oxygen and Ethanol on Pd–Au Peer-reviewed
Edward James Evans, Hao Li, Sungmin Han, Graeme Henkelman, C. Buddie Mullins
ACS Catalysis 9 (5) 4516-4525 2019/05/03
Publisher: American Chemical Society ({ACS})ISSN:2155-5435
-
Data-Mining for Processes in Chemistry, Materials, and Engineering Invited Peer-reviewed
Hao Li, Zhien Zhang, Zhe-Ze Zhao
Processes 7 (3) 151-151 2019/03/11
Publisher: {MDPI} {AG}DOI: 10.3390/pr7030151
ISSN:2227-9717
-
Big to Small: Ultrafine Mo 2 C Particles Derived from Giant Polyoxomolybdate Clusters for Hydrogen Evolution Reaction Peer-reviewed
Zheng Zhou, Ziwen Yuan, Sai Li, Hao Li, Junsheng Chen, Yanqing Wang, Qianwei Huang, Cheng Wang, Huseyin Enis Karahan, Graeme Henkelman, Xiaozhou Liao, Li Wei, Yuan Chen
Small 15 (11) 1900358-1900358 2019/03
Publisher: WileyISSN:1613-6810 1613-6829
-
Non-Monotonic Trends of Hydrogen Adsorption on Single Atom Doped g-C3N4 Peer-reviewed
Hao Li, Zhien Zhang, Zhijian Liu
Catalysts 9 (1) 84-84 2019/01/14
Publisher: {MDPI} {AG}DOI: 10.3390/catal9010084
ISSN:2073-4344
-
Selectivity for ethanol partial oxidation: the unique chemistry of single-atom alloy catalysts on Au, Ag, and Cu(111) Invited Peer-reviewed
Hao Li, Wenrui Chai, Graeme Henkelman
Journal of Materials Chemistry A 7 (41) 23868-23877 2019
Publisher: Royal Society of Chemistry ({RSC})DOI: 10.1039/c9ta04572d
ISSN:2050-7488 2050-7496
-
Microwave-Assisted Synthesis of Classically Immiscible Ag–Ir Alloy Nanoparticle Catalysts Peer-reviewed
Hongyu Guo, Hao Li, Karalee Jarvis, Haiqin Wan, Pranaw Kunal, Samuel G. Dunning, Yulu Liu, Graeme Henkelman, Simon M. Humphrey
ACS Catalysis 8 (12) 11386-11397 2018/12/07
Publisher: American Chemical Society ({ACS})ISSN:2155-5435
-
Effects of ensembles, ligand, and strain on adsorbate binding to alloy surfaces Peer-reviewed
Hao Li, Kihyun Shin, Graeme Henkelman
The Journal of Chemical Physics 149 (17) 174705-174705 2018/11/07
Publisher: {AIP} PublishingDOI: 10.1063/1.5053894
ISSN:0021-9606 1089-7690
-
Ethanol Decomposition on Pd–Au Alloy Catalysts Peer-reviewed
Hao Li, Edward J. Evans, C. Buddie Mullins, Graeme Henkelman
The Journal of Physical Chemistry C 122 (38) 22024-22032 2018/09/27
Publisher: American Chemical Society ({ACS})ISSN:1932-7447 1932-7455
-
Functional Group Effects on the HOMO–LUMO Gap of g-C3N4 Peer-reviewed
Hao Li, Zhien Zhang, Yulu Liu, Wanglai Cen, Xubiao Luo
Nanomaterials 8 (8) 589-589 2018/08/03
Publisher: {MDPI} {AG}DOI: 10.3390/nano8080589
ISSN:2079-4991
-
Machine learning predictive framework for CO2 thermodynamic properties in solution Peer-reviewed
Zhien Zhang, Hao Li, Haixing Chang, Zhen Pan, Xubiao Luo
Journal of CO2 Utilization 26 152-159 2018/07
Publisher: Elsevier {BV}DOI: 10.1016/j.jcou.2018.04.025
ISSN:2212-9820
-
Mining the intrinsic trends of CO2 solubility in blended solutions Peer-reviewed
Hao Li, Zhien Zhang
Journal of CO2 Utilization 26 496-502 2018/07
Publisher: Elsevier {BV}DOI: 10.1016/j.jcou.2018.06.008
ISSN:2212-9820
-
Progress in enhancement of CO2 absorption by nanofluids: A mini review of mechanisms and current status Peer-reviewed
Zhien Zhang, Jianchao Cai, Feng Chen, Hao Li, Wenxiang Zhang, Wenjie Qi
Renewable Energy 118 527-535 2018/04
Publisher: Elsevier {BV}DOI: 10.1016/j.renene.2017.11.031
ISSN:0960-1481
-
Oxygen Reduction Reaction on Classically Immiscible Bimetallics: A Case Study of RhAu Peer-reviewed
Hao Li, Long Luo, Pranaw Kunal, Cecile S. Bonifacio, Zhiyao Duan, Judith C. Yang, Simon M. Humphrey, Richard M. Crooks, Graeme Henkelman
The Journal of Physical Chemistry C 122 (5) 2712-2716 2018/02/08
Publisher: American Chemical Society ({ACS})ISSN:1932-7447 1932-7455
-
Exploring the potential relationship between indoor air quality and the concentration of airborne culturable fungi: a combined experimental and neural network modeling study Peer-reviewed
Zhijian Liu, Kewei Cheng, Hao Li, Guoqing Cao, Di Wu, Yunjie Shi
Environmental Science and Pollution Research 25 (4) 3510-3517 2018/02
Publisher: Springer Science and Business Media {LLC}DOI: 10.1007/s11356-017-0708-5
ISSN:0944-1344 1614-7499
-
A computational study of supported Cu-based bimetallic nanoclusters for CO oxidation Peer-reviewed
Yulu Liu, Hao Li, Wanglai Cen, Jianjun Li, Zhengming Wang, Graeme Henkelman
Physical Chemistry Chemical Physics 20 (11) 7508-7513 2018
Publisher: Royal Society of Chemistry ({RSC})DOI: 10.1039/c7cp08578h
ISSN:1463-9076 1463-9084
-
Performance Prediction and Optimization of Solar Water Heater via a Knowledge-Based Machine Learning Method Peer-reviewed
Hao Li, Zhijian Liu
Handbook of Research on Power and Energy System Optimization 55-74 2018
Publisher: {IGI} GlobalDOI: 10.4018/978-1-5225-3935-3.ch002
ISSN:2327-039X 2327-0403
-
Dehydrogenation Selectivity of Ethanol on Close-Packed Transition Metal Surfaces: A Computational Study of Monometallic, Pd/Au, and Rh/Au Catalysts Peer-reviewed
Hao Li, Graeme Henkelman
The Journal of Physical Chemistry C 121 (49) 27504-27510 2017/12/14
Publisher: American Chemical Society ({ACS})ISSN:1932-7447 1932-7455
-
Application of Artificial Neural Networks for Catalysis: A Review Invited Peer-reviewed
Hao Li, Zhien Zhang, Zhijian Liu
Catalysts 7 (10) 306-306 2017/10/18
Publisher: {MDPI} {AG}DOI: 10.3390/catal7100306
ISSN:2073-4344
-
Computationally Assisted STEM and EXAFS Characterization of Tunable Rh/Au and Rh/Ag Bimetallic Nanoparticle Catalysts Peer-reviewed
Stephen D. House, Cecile S. Bonifacio, Janis Timoshenko, Pranaw Kunal, Haiqin Wan, Zhiyao Duan, Hao Li, Judith C. Yang, Anatoly I. Frenkel, Simon M. Humphrey, Richard M. Crooks, Graeme A. Henkelman
Microscopy and Microanalysis 23 (S1) 2030-2031 2017/07
Publisher: Cambridge University Press ({CUP})DOI: 10.1017/s1431927617010819
ISSN:1431-9276 1435-8115
-
Rapid Synthesis of RhPd Alloy Nanocatalysts Peer-reviewed
Graham William Piburn, Hao Li, Pranaw Kunal, Graeme Henkelman, Simon Michael Humphrey
ChemCatChem 10 (1) 329-333 2017/07
Publisher: Wiley-BlackwellISSN:1867-3880 1867-3899
-
Quick Estimation Model for the Concentration of Indoor Airborne Culturable Bacteria: An Application of Machine Learning Peer-reviewed
Zhijian Liu, Hao Li, Guoqing Cao
International Journal of Environmental Research and Public Health 14 (8) 857-857 2017/07
Publisher: {MDPI} {AG}ISSN:1660-4601
-
Tunability of the Adsorbate Binding on Bimetallic Alloy Nanoparticles for the Optimization of Catalytic Hydrogenation Peer-reviewed
Long Luo, Zhiyao Duan, Hao Li, Joohoon Kim, Graeme Henkelman, Richard M. Crooks
Journal of the American Chemical Society 139 (15) 5538-5546 2017/04/07
Publisher: American Chemical Society ({ACS})DOI: 10.1021/jacs.7b01653
ISSN:0002-7863 1520-5126
-
PdAu Alloy Nanoparticle Catalysts: Effective Candidates for Nitrite Reduction in Water Peer-reviewed
Sarah Seraj, Pranaw Kunal, Hao Li, Graeme Henkelman, Simon M. Humphrey, Charles J. Werth
ACS Catalysis 7 (5) 3268-3276 2017/04/06
Publisher: American Chemical Society ({ACS})ISSN:2155-5435
-
Mechanistic insights on ethanol dehydrogenation on Pd–Au model catalysts: a combined experimental and DFT study Peer-reviewed
E. J. Evans, H. Li, Wen-Yueh Yu, G. M. Mullen, G. Henkelman, C. Buddie Mullins
Physical Chemistry Chemical Physics 19 (45) 30578-30589 2017
Publisher: Royal Society of Chemistry ({RSC})DOI: 10.1039/c7cp05097f
ISSN:1463-9076 1463-9084
-
Predictive Power of Machine Learning for Optimizing Solar Water Heater Performance: The Potential Application of High-Throughput Screening Peer-reviewed
Hao Li, Zhijian Liu, Kejun Liu, Zhien Zhang
International Journal of Photoenergy 2017 1-10 2017
Publisher: Hindawi LimitedDOI: 10.1155/2017/4194251
ISSN:1110-662X 1687-529X
-
Design of high-performance water-in-glass evacuated tube solar water heaters by a high-throughput screening based on machine learning: A combined modeling and experimental study Peer-reviewed
Zhijian Liu, Hao Li, Kejun Liu, Hancheng Yu, Kewei Cheng
Solar Energy 142 61-67 2017/01
Publisher: Elsevier {BV}DOI: 10.1016/j.solener.2016.12.015
ISSN:0038-092X
-
Microwave-Assisted Synthesis of PdxAu100–x Alloy Nanoparticles: A Combined Experimental and Theoretical Assessment of Synthetic and Compositional Effects upon Catalytic Reactivity Peer-reviewed
Pranaw Kunal, Hao Li, Beth L. Dewing, Liang Zhang, Karalee Jarvis, Graeme Henkelman, Simon M. Humphrey
ACS Catalysis 6 (8) 4882-4893 2016/06
Publisher: American Chemical Society ({ACS})ISSN:2155-5435
-
Prediction of the physicochemical properties of woody biomass using linear prediction and artificial neural networks Peer-reviewed
Hao Li, Shuangjun Yang, Weiqi Zhao, Zhihan Xu, Shiyu Zhao, Xifeng Liu
Energy Sources, Part A: Recovery, Utilization, and Environmental Effects 38 (11) 1569-1573 2016/05
Publisher: Informa {UK} LimitedDOI: 10.1080/15567036.2014.934412
ISSN:1556-7036 1556-7230
-
Extreme learning machine: a new alternative for measuring heat collection rate and heat loss coefficient of water-in-glass evacuated tube solar water heaters Peer-reviewed
Zhijian Liu, Hao Li, Xindong Tang, Xinyu Zhang, Fan Lin, Kewei Cheng
SpringerPlus 5 (1) 2016/05
Publisher: Springer NatureDOI: 10.1186/s40064-016-2242-1
ISSN:2193-1801
-
Comparative Study on Theoretical and Machine Learning Methods for Acquiring Compressed Liquid Densities of 1,1,1,2,3,3,3-Heptafluoropropane (R227ea) via Song and Mason Equation, Support Vector Machine, and Artificial Neural Networks Peer-reviewed
Hao Li, Xindong Tang, Run Wang, Fan Lin, Zhijian Liu, Kewei Cheng
Applied Sciences 6 (1) 25-25 2016/01
Publisher: {MDPI} {AG}DOI: 10.3390/app6010025
ISSN:2076-3417
-
Investigation of dust loading and culturable microorganisms of HVAC systems in 24 office buildings in Beijing Peer-reviewed
Zhijian Liu, Zunqiang Zhu, Yexuan Zhu, Wei Xu, Hao Li
Energy and Buildings 103 166-174 2015/09
Publisher: Elsevier {BV}DOI: 10.1016/j.enbuild.2015.06.056
ISSN:0378-7788
-
Novel Method for Measuring the Heat Collection Rate and Heat Loss Coefficient of Water-in-Glass Evacuated Tube Solar Water Heaters Based on Artificial Neural Networks and Support Vector Machine Peer-reviewed
Zhijian Liu, Hao Li, Xinyu Zhang, Guangya Jin, Kewei Cheng
Energies 8 (8) 8814-8834 2015/08
Publisher: {MDPI} {AG}DOI: 10.3390/en8088814
ISSN:1996-1073
-
User-friendly optimization approach of fed-batch fermentation conditions for the production of iturin A using artificial neural networks and support vector machine Peer-reviewed
Fudi Chen, Hao Li, Zhihan Xu, Shixia Hou, Dazuo Yang
Electronic Journal of Biotechnology 18 (4) 273-280 2015/07
Publisher: Elsevier {BV}DOI: 10.1016/j.ejbt.2015.05.001
ISSN:0717-3458
-
Probing the reactivity of microhydrated α-nucleophile in the anionic gas-phase SN2 reaction Peer-reviewed
Wen-Yang Zhao, Jie Yu, Si-Jia Ren, Xi-Guang Wei, Fang-Zhou Qiu, Peng-Hui Li, He Li, Yi-Peng Zhou, Chang-Zhen Yin, An-Pu Chen, Hao Li, Lei Zhang, Jun Zhu, Yi Ren, Kai-Chung Lau
Journal of Computational Chemistry 36 (11) 844-852 2015/03/11
Publisher: Wiley-BlackwellDOI: 10.1002/jcc.23862
ISSN:0192-8651
-
Artificial Neural Network Analysis of Xinhui Pericarpium <i>Citri Reticulatae</i> Using Gas Chromatography - Mass Spectrometer - Automated Mass Spectral Deconvolution and Identification System Peer-reviewed
Xiaoqun Qu, Hao Li, Xiumei Yang, Maolan Tan, Hui Ao, Jin Wang
Tropical Journal of Pharmaceutical Research 14 (11) 2071-2071 2015
Publisher: African Journals Online ({AJOL}) -
Artificial Neural Networks-Based Software for Measuring Heat Collection Rate and Heat Loss Coefficient of Water-in-Glass Evacuated Tube Solar Water Heaters Peer-reviewed
Zhijian Liu, Kejun Liu, Hao Li, Xinyu Zhang, Guangya Jin, Kewei Cheng, Peter E. Larsen
PLOS ONE 10 (12) 2015
Publisher: Public Library of Science ({PLoS})DOI: 10.1371/journal.pone.0143624
ISSN:1932-6203
-
Infrared Spectroscopic Study on the Modified Mechanism of Aluminum-Impregnated Bone Charcoal Peer-reviewed
Hao Li, Yufan Yang, Shuangjun Yang, Anpu Chen, Dazuo Yang
Journal of Spectroscopy 2014 1-7 2014
Publisher: Hindawi LimitedDOI: 10.1155/2014/671956
ISSN:2314-4920 2314-4939
-
Analysis of the Oil Content of Rapeseed Using Artificial Neural Networks Based on Near Infrared Spectral Data Peer-reviewed
Dazuo Yang, Hao Li, Chenchen Cao, Fudi Chen, Yibing Zhou, Zhilong Xiu
Journal of Spectroscopy 2014 1-5 2014
Publisher: Hindawi LimitedDOI: 10.1155/2014/901310
ISSN:2314-4920 2314-4939
-
Evaluation Models for Soil Nutrient Based on Support Vector Machine and Artificial Neural Networks Peer-reviewed
Hao Li, Weijia Leng, Yibing Zhou, Fudi Chen, Zhilong Xiu, Dazuo Yang
The Scientific World Journal 2014 1-7 2014
Publisher: Hindawi LimitedDOI: 10.1155/2014/478569
ISSN:2356-6140 1537-744X
Presentations 56
-
The Cat-Universe: A “Data-Theory-Methodology-Experiment” Framework to Realize Catalyst Design Invited
Hao Li
Seminar of Department of Nano and Chemical Engineering, University of California San Diego 2024/04/17
-
What Can Theory Do For Us? Invited
Hao Li
Seminar of University of Science and Technology of China 2024/04/08
-
Turing Scheme of Catalysis: Development of the Front-End of AI Lab for Electrocatalysis Invited
Hao Li
Seminar of Chinese Chemical Society 2024/04/06
-
The Cat-Universe: A “Data-Theory-Methodology-Experiment” Framework to Realize Catalyst Design Invited
Hao Li
国立研究開発法人物質・材料研究機構 | NIMS 2024/03/21
-
The Cat-Universe: Design of Catalysts by A Data-Driven Framework Invited
Hao Li
Seminar of University of California, Los Angeles (UCLA) 2024/03/14
-
The Cat-Universe: A “Data-Theory-Methodology-Experiment” Framework to Realize Catalyst Design Invited
Hao Li
Seminar of Department of Chemistry, Wayne State University, USA 2024/02/28
-
Fusing Theory and Experiments to Realize Materials Design Invited
Hao Li
11th Early Career Researchers Ensemble Workshop 2023/12/13
-
A “Data-Theory-Methodology-Experiment” Framework to Design Effective Materials for Hydrogen Generation and Utilization Invited
Hao Li
Materials Research Meeting (MRM 2023) 2023/12/13
-
Do's and Don'ts in Computational Catalysis Invited
Hao Li
Seminar of The University of Sydney 2023/12/08
-
The Cat-Universe: A “Data-Theory-Methodology-Experiment” Framework to Realize Catalyst Design Invited
Hao Li
Seminar of The University of Adelaide 2023/12/05
-
The Cat-Universe: A “Data-Theory-Methodology-Experiment” Framework to Realize Catalyst Design Invited
Hao Li
ISGTCO2 International Symposium 2023/12/01
-
A “Data-Theory-Methodology-Experiment” Framework to Realize Materials Design Invited
Hao Li
CRCMS International Symposium 2023/11/29
-
A “Data-Theory-Methodology-Experiment” Framework to Realize Materials Design Invited
Hao Li
International Conference on Carbon Resources to Chemicals, China 2023/11/01
-
Searching for Low-Cost and Stable Transition Metal X-ide Materials for Electrocatalytic Hydrogen Generation and Utilization Invited
Hao Li
Tsinghua-Tohoku University Joint Workshop 2023/10/27
-
A “Data-Theory-Methodology-Experiment” Framework to Realize Materials Design Invited
Hao Li
Seminar with the Delegation of Science and Technology from the Embassy of France 2023/09/01
-
The Rational Design and Understanding of CO2 Reduction Catalysts Invited
Hao Li
Seminar of Carbon-based Energy and Chemical Engineering, Taiyuan University of Technology 2023/07/01
-
A “Data-Theory-Methodology-Experiment” Framework for Catalyst Design Invited
Hao Li
Seminar of Tsinghua University 2023/06/15
-
Catalyst Engineering for A Sustainable Future Invited
Hao Li
Seminar of North China Electricity Power University (Baoding) 2023/06/12
-
Data-driven Design of Effective Catalysts Invited
Hao Li
Seminar of Yanshan University 2023/06/09
-
A “Data-Theory-Methodology-Experiment” Framework for Effective Catalyst Design Invited
Hao Li
Seminar of University of Science and Technology of China 2023/05/13
-
Exploring the Catalysis Universe Invited
Hao Li
Seminar of Hefei University of Technology 2023/05/10
-
Understanding Experimental Observations based on Catalysis Theory Invited
Hao Li
Seminar of East China University of Science and Technology 2023/05/09
-
A “Data-Theory-Methodology-Experiment” Framework to Realize Materials Design Invited
Hao Li
The University of Cambridge – AIMR Workshop 2023/04/27
-
A “Data-Theory-Methodology-Experiment” Framework to Realize Catalyst Design Invited
Hao Li
Imperial College London-AIMR Joint Workshop 2023/04/21
-
Is Machine Learning the Only Way-out of Computational Materials? Invited
Hao Li
2nd International Conference on Data Driven Materials Innovation and Carbon Neutrality 2023/02/27
-
The Cat-Universe: Design of Catalysts by A Data-Driven Framework Invited
Hao Li
2nd International Conference on Data Driven Materials Innovation and Carbon Neutrality 2023/02/25
-
Explore the Role of Neutral Molecules in Closo-type Metal Hydride Electrolytes
Hao Li
Early Career Researchers Ensemble Workshop 2023/02/16
-
The Cat-Universe: Design of Catalysts by A Data-Driven Framework Invited
Hao Li
Joint Seminar of Aarhus University, Purdue University, and Tohoku University 2023/02/08
-
The Cat-Universe: Design of Catalysts by A Data-Driven Framework Invited
Hao Li
Seminar of School of Chemical Engineering, The University of Manchester, UK 2023/01/23
-
The Cat-Universe: Design of Catalysts by A Data-Driven Framework Invited
Hao Li
Seminar of School of Chemical Engineering, The University of Sydney, Australia 2022/12/12
-
Design High-Performance Catalysts by a Data-Driven Framework Invited
Hao Li
Seminar of Beijing University of Chemical Technology 2022/11/04
-
The Role of Catalysis Theory and Data Science for a Sustainable Future Invited
Hao Li
Seminar of Research School of Chemistry, the Australian National University 2022/10/06
-
A Data-Driven Framework for Effective Catalyst Design Invited
Hao Li
Online Seminar of Sichuan University 2022/09/27
-
Design of Electrocatalysts by Materials Theory and Machine Learning Invited
Hao Li
Joint Meeting of the Tohoku Area Chemistry Societies 2022/09/17
-
Reactions at Alloy Surfaces Invited
Hao Li
Catalysis and Modeling Symposium 2022/09/13
-
Design of Materials by Theory
Hao Li
33rd IUPAP Conference on Computational Physics (CCP 2022) 2022/08/05
-
How to Precisely Design Catalysts by Materials Theory and Data-Science Invited
Hao Li
Online Seminar of Harbin Institute of Technology 2022/08/03
-
Introduction to a Collaborative Materials Design Framework of Hao Li Lab Invited
Hao Li
Tohoku University – University of Melbourne Joint Workshop 2022/07
-
Exploring the “Catalysis Universe” from Data and Theory Invited
Hao Li
AIMR Tea-Time Talk 2022/04
-
Design of CO2 Reduction Electrocatalysts Using Materials Theory and Machine Learning Invited
Hao Li
Online seminar of Qingdao University 2022/04
-
Design of Catalysts Realized by Materials Theory and Machine Learning Invited
Hao Li
The University of Cambridge – AIMR Workshop 2022/04
-
Design of Catalysts Realized by Materials Theory and Machine Learning Invited
Hao Li
ACS National Meeting 2022/03
-
Design of Catalysts Realized by Materials Theory and Machine Learning Invited
Hao Li
Seminar of School of Chemical Engineering, The University of Queensland, Australia 2022/01
-
Design of Catalysts Realized by Materials Theory and Machine Learning Invited
Hao Li
Seminar of Department of Chemical Engineering, Polytechnique Montréal, Canada 2021/10
-
Design of Catalysts Realized by Materials Theory and Machine Learning Invited
Hao Li
Seminar of School of Energy and Environment, City University of Hong Kong, China 2021/09
-
Reducing the Complexity in Catalyst Design by Mathematical Modeling Invited
Hao Li
Seminar of School of Mathematics, UCT Prague, Czech Republic 2021/07
-
Reducing the Complexity in Catalyst Design Invited
Hao Li
Seminar of Department of Chemistry, Illinois Institute of Technology, Chicago IL 2021/06
-
Combining Theory, Methodology, and Experiments for the Design of Catalytic Materials Invited
Hao Li
Seminar of Catalysis Research Center, Technical University of Munich, Germany 2021/04
-
Reducing the Complexity in Catalyst Design Invited
Hao Li
Seminar of Chemistry, University of Akron, Akron OH 2021/04
-
Reducing the Complexity in Catalyst Design Invited
Seminar of NCCR Catalysis, ETH Zürich, Switzerland 2021/04
-
Modeling of Catalytic Reactions at Alloy Surfaces Invited
Hao Li
Seminar of School of Energy, North China Electric Power University 2020/06
-
Unifying Theory, Modeling, and Experiments in Chemistry Invited
Hao Li
Chemistry Seminar in Princeton University, Princeton NJ 2019/09
-
TensorFlow- and Keras-Based Machine Learning Frameworks for Fitting Potential Energy Surfaces: A Collaborative Project Originated in IPAM Invited
Hao Li
Reunion Conference for EL2017, IPAM CA 2019/06
-
New Design Strategy for Effective Alloy Catalysts Invited
Hao Li
CCE-2019, Houston TX 2019/02
-
How to Train a Precise Neural Network for Atomistic Simulation Invited
Hao Li
UT Summer Semester 2018/06
-
The Cat-Universe: A “Data-Theory-Methodology-Experiment” Framework to Realize Catalyst Design Invited
Hao Li
Summer Workshop on AI for Materials 2023/07/06
Research Projects 19
-
Degradation of Atomically Dispersed M-N-C Carbon Catalysts in Acidic Media
Yuan Chen, Hao Li
Offer Organization: Australian Research Council (ARC)
System: Discovery Project (DP)
Institution: The University of Sydney; Tohoku University
2023/02 - 2026/01
-
The Search and Construction of CO2RR Electrocatalysts Initialized by Data Science
Hao Li
Offer Organization: Foundation of State Key Laboratory of Coal Conversion
2024/01 - 2025/12
-
Data-Driven Exploration of Transition Metal X-ide CO2 Reduction Catalysts
Qiang Wang, Hao Li
Offer Organization: Key International S&T Cooperation Project of Shanxi
Institution: Chinese Academy of Sciences; Tohoku University
2024/01 - 2025/12
-
Theoretical Study of Electrocatalytic Alkene Epoxidation and Related Catalyst Design
Hao Li
Offer Organization: Shanxi Supercomputing Center
2023/09 - 2025/08
-
アンモニア合成電気化学触媒の反応活性に影響する磁気特性の起源の解明
LI HAO
Offer Organization: 日本学術振興会
System: 科学研究費助成事業
Category: 特別研究員奨励費
Institution: 東北大学
2023/07/26 - 2025/03/31
-
Explore the Origin of the Oxygen Reduction Performance of Atomically Dispersed Transition Metal-Nitrogen-Carbon (M-N-C) Catalysts
LI HAO
Offer Organization: 日本学術振興会
System: 科学研究費助成事業 若手研究
Category: 若手研究
Institution: 東北大学
2023/04/01 - 2025/03/31
-
Searching for Low-Cost and Stable Transition Metal X-ide Materials for Electrocatalytic Hydrogen Generation and Utilization
Hao Li
System: Tohoku-Tsinghua Collaborative Research Fund
Institution: Tohoku University
2023/05 - 2025/03
-
From Sunlight and CO2 to Liquid Methanol: A Novel Non-Thermal Plasma Technology for CO2 Hydrogenation to Liquid Methanol at Ambient Temperature and Pressure
Yunxia Yang, Tony Murphy, Annemie Bogaerts, Xin Tu, Hao Li, Bernt Johannessen
Offer Organization: Energy Resources in Energy Business Unit, CSIRO, Australia
Institution: CSIRO; University of Antwerp; University of Liverpool; Tohoku University
2024 - 2025
-
International Collaborative Project: Conversion of Carbon-based Materials into Value-added Chemicals
Wenying Li, Hao Li, Huiling Zheng
Offer Organization: National Key R&D Program of China
Institution: Taiyuan University of Technology; Tohoku University
2022 - 2025
-
Fusing Ab Initio Computational and Mathematical Methods with Experiments to Probe the Surface Reconstruction of SnXm (X=O/S; m=1/2) Materials Under Electrocatalytic Conditions
Hao Li, Tianyi Wang, Hirofumi Oka, Akichika Kumatani, Yuhang Huang
Offer Organization: AIMR Fusion Research
2024/01 - 2024/05
-
Search for Stable, Active, and Cost- effective TMXA/TMXB Heterostructure Materials for Electrocatalysis
Hao Li, Xintong Zhao, Li Wei
Offer Organization: Ensemble Grants for Early Career Researchers 2023
2023/06 - 2024/03
-
Explore the Performance of Closotype Metal Hydride Electrolytes with Large-size Neutral Molecules
Hao Li, Kazuaki Kisu, Egon Campos dos Santos
Offer Organization: 2023 Ensemble Continuation Grant, Tohoku University
2023 - 2024
-
Design and Synthesis of Ammonia Decomposition Catalysts for Hydrogen Production
Wanglai Cen, Hao Li, Chenghua Sun
Offer Organization: Key Program for International S&T Cooperation Projects of Sichuan
Institution: Sichuan University; Tohoku University; Swinburne University of Technology
2023 - 2024
-
Theoretical Analysis and Experimental Verification of Catalytic Methanol Synthesis by CO/CO2 Hydrogenation
Hao Li
Offer Organization: State Key Laboratory of Clean and Efficient Coal Utilization of Taiyuan University of Technology
Institution: Tohoku University
2023 - 2024
-
Screening of Transition Metal Oxide Electrodes based on Data Mining and Theoretical Calculations
Hao Li
Offer Organization: Iwatani Science and Technology Research Grant
Institution: Tohoku University
2023 - 2024
-
革新水素貯蔵 -水素 反応の精密解析とデ ジタル技術の援用-
Offer Organization: 国立研究開発法人 科学技術振興機構(JST)
System: 革新的GX技術創出事業(GteX)
2023/10 -
-
Analysis of the Role of Neutral Molecules in Complex Hydride Ionic Conductors
Hao Li, Kazuaki Kisu, Egon Campos dos Santos
Offer Organization: Ensemble Grants for Early Career Researchers 2022
Institution: Tohoku University
2022/06 - 2023/03
-
Designing Ultrahigh Performance Molecular Electrocatalysts for Next-Generation Energy Devices
Hao Li, Hiroshi Yabu, Akichika Kumatani, Di Zhang
Offer Organization: AIMR Fusion Research
Institution: Tohoku University
2022 - 2023
-
Sustainable Solar to Chemical Transformation for Water Treatment
Hao Li, Li Wei
Offer Organization: International SDG Collaboration Program of The University of Sydney
Institution: Tohoku University; The University of Sydney
2022 - 2022
Teaching Experience 3
-
Machine Learning in Computational Materials Computation GO
-
Concepts in Heterogeneous Catalysis Technical University of Denmark
-
Physical and Computational Chemistry The University of Texas at Austin
Media Coverage 1
-
Conversation with a Hindawi Editor: Prof. Hao Li
https://www.hindawi.com/post/conversation-hindawi-editor-prof-hao-li/
2022/06
Type: Internet
Academic Activities 18
-
Guest Editor
2023 - Present
Activity type: Scientific advice/Review
-
Associate Editor
2022/01 - Present
Activity type: Academic society, research group, etc.
-
Invited Lead Guest Editor
2019 - Present
Activity type: Academic society, research group, etc.
-
Evaluator of Global University Ranking
2023 - 2024
Activity type: Other
-
Chair
2023/02/25 - 2023/02/27
Activity type: Competition, symposium, etc.
-
Grant Proposal Referee
2023 - 2023
Activity type: Scientific advice/Review
-
External Referee for Faculty Recruitment
2023 - 2023
Activity type: Scientific advice/Review
-
Referee of Ph.D. Dissertation
2023 - 2023
Activity type: Scientific advice/Review
-
Grant Proposal Referee
2023 - 2023
Activity type: Scientific advice/Review
-
International Referee for Faculty Promotion
2023 - 2023
Activity type: Scientific advice/Review
-
External Co-Supervisor
2021 - 2022
Activity type: Academic society, research group, etc.
-
Invited Lead Guest Editor
2020 - 2022
Activity type: Peer review
-
Chair
2024/03/05 -
Activity type: Competition, symposium, etc.
-
Grant Proposal Referee
2024 -
Activity type: Scientific advice/Review
-
Section Chair
2023/11/01 -
Activity type: Competition, symposium, etc.
-
Committee for Postdoc Defense
2023/08/30 -
Activity type: Academic society, research group, etc.
-
Grant Proposal Referee
2023 -
Activity type: Scientific advice/Review
-
External Committee for Postdoc Defense
2023 -
Activity type: Academic society, research group, etc.
Other 3
-
HERO: Hessian Engineering for Atomistic Relaxation Optimization
-
CatMath - An Online Predictive Platform for Thermal + Electrocatalysis
-
Dynamic Database of Solid-State Electrolyte (DDSE)