TOHOKU UNIVERSITY Researchers

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Liu Heng

Section

Advanced Institute for Materials Research

Job title

Specially Appointed Assistant Professor(Research)

Degree

Ｐｈ．Ｄ．（University of Manchester）
Ｍ．Ｓ．（Central South University）

researchmap

https://researchmap.jp/hengliumanchester

J-GLOBAL ID

202401002970983625

ORCID

https://orcid.org/0000-0002-7272-3908

Research History 1

2022/10 - 2024/03

Tohoku University　Advanced Institute for Materials Research　Visiting scientist

Education 2

University of Manchester　Department of Chemical Engineering　Ph.D.

2020/10 - 2024/03
Central South University　Powder Metallurgy Research Institute　Master

2017/09 - 2020/07

Research Interests 6

Catalyst design
Electrocatalysis
Nanomaterials for energy conversion technology
Materials theory
Density functional theory
Surface state analysis

Research Areas 5

Nanotechnology/Materials / Basic physical chemistry /
Natural sciences / Bio-, chemical, and soft-matter physics /
Nanotechnology/Materials / Material fabrication and microstructure control /
Nanotechnology/Materials / Composite materials and interfaces /
Nanotechnology/Materials / Inorganic materials /

Awards 1

Front cover article

2023/07　RSC

Papers 31

CO₂ Photoreduction into C₂ Fuels Steered by Heteroatom Pair Sites in M_xO_y@Bi₂S₃ Heterojunction Peer-reviewed

Zhixing Zhang, Qinyuan Hu, Jiawei Xie, Wensheng Yan, Jun Hu, Junfa Zhu, Yang Pan, Wenxiu Liu, Heng Liu, Xingchen Jiao

ACS Catalysis　14021-14028　2025/07/30
Publisher: American Chemical Society (ACS)
DOI： 10.1021/acscatal.5c04257 　

ISSN： 2155-5435

eISSN： 2155-5435
Advancing electrocatalyst discovery through the lens of data science: State of the art and perspectives

Xue Jia, Tianyi Wang, Di Zhang, Xuan Wang, Heng Liu, Liang Zhang, Hao Li

Journal of Catalysis　447　116162-116162　2025/07
Publisher: Elsevier BV
DOI： 10.1016/j.jcat.2025.116162 　

ISSN： 0021-9517
Modulating Ru–O bond covalency via Ga-doping for enhanced oxygen evolution reaction in acid Peer-reviewed

Zhongliang Liu, Heng Liu, Kai Zhou, Miaomiao Liu, Tianrui Xue, Yongjun Shen, Hao Li, Huihui Li, Chunzhong Li

Science China Chemistry　2025/05/28
Publisher: Springer Science and Business Media LLC
DOI： 10.1007/s11426-025-2653-y 　

ISSN： 1674-7291

eISSN： 1869-1870
Closed-Loop Framework for Discovering Stable and Low-Cost Bifunctional Metal Oxide Catalysts for Efficient Electrocatalytic Water Splitting in Acid

Xue Jia, Zihan Zhou, Fangzhou Liu, Tianyi Wang, Yuhang Wang, Di Zhang, Heng Liu, Yong Wang, Songbo Ye, Koji Amezawa, Li Wei, Hao Li

Journal of the American Chemical Society　147　(26)　22642-22654　2025/05/19
Publisher: American Chemical Society (ACS)
DOI： 10.1021/jacs.5c04079 　

ISSN： 0002-7863

eISSN： 1520-5126
Ball milling-induced strain engineering in nanoporous catalysts for tailoring hydrogen evolution reaction Peer-reviewed

Qite Li, Wence Xu, Zhonghui Gao, Yanqin Liang, Hui Jiang, Zhaoyang Li, Zhenduo Cui, Heng Liu, Shengli Zhu

Chemical Engineering Journal　509　161491-161491　2025/04
Publisher: Elsevier BV
DOI： 10.1016/j.cej.2025.161491 　

ISSN： 1385-8947
Temperature dependent mechanism transition effect stabilized ruthenium-based oxides for water oxidation in proton exchange membrane electrolyzer

Shu-Hong Yu, Ming-Rong Qu, Rui Wu, Heng Liu, Sihua Feng, Sheng Zhu, Jie Xu, Heng-Li Duan, Ruiqi Liu, You-Yi Qin, Wensheng Yan, Xiaozhi Su, Hao Li

2025/03/06

DOI： 10.21203/rs.3.rs-4097038/v1 　
Computational Single-Atom Catalyst Database Empowers the Machine Learning Assisted Design of High-Performance Catalysts

Mingye Huang, Ruiyang Shi, Heng Liu, Wenjun Ding, Jiahang Fan, Binghui Zhou, Bo Da, Zhengyang Gao, Hao Li, Weijie Yang

The Journal of Physical Chemistry C　129　(10)　5043-5053　2025/03/03
Publisher: American Chemical Society (ACS)
DOI： 10.1021/acs.jpcc.5c00491 　

ISSN： 1932-7447

eISSN： 1932-7455
Rational design of precatalysts and controlled evolution of catalyst-electrolyte interface for efficient hydrogen production Peer-reviewed

Anquan Zhu, Lulu Qiao, Kai Liu, Guoqiang Gan, Chuhao Luan, Dewu Lin, Yin Zhou, Shuyu Bu, Tian Zhang, Kunlun Liu, Tianyi Song, Heng Liu, Hao Li, Guo Hong, Wenjun Zhang

Nature Communications　16　(1)　2025/02/22
Publisher: Springer Science and Business Media LLC
DOI： 10.1038/s41467-025-57056-6 　

eISSN： 2041-1723
Electrochemical CO₂ Reduction on SnO: Insights into C₁ Product Dynamic Distribution and Reaction Mechanisms Peer-reviewed

Zhongyuan Guo, Tianyi Wang, Heng Liu, Xue Jia, Di Zhang, Li Wei, Jiang Xu, Hao Li

ACS Catalysis　3173-3183　2025/02/06
Publisher: American Chemical Society (ACS)
DOI： 10.1021/acscatal.4c07987 　

ISSN： 2155-5435

eISSN： 2155-5435
W‐Mediated Electron Accumulation in Ru−O−W Motifs Enables Ultra‐Stable Oxygen Evolution Reaction in Acid Peer-reviewed

Kai Zhou, Heng Liu, Zhongliang Liu, Xiaoning Li, Nana Wang, Mingyue Wang, Tianrui Xue, Yongjun Shen, Hao Li, Huihui Li, Chunzhong Li

Angewandte Chemie International Edition　2025/01/31
Publisher: Wiley
DOI： 10.1002/anie.202422707 　

ISSN： 1433-7851

eISSN： 1521-3773

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Abstract The development of efficient and durable oxygen evolution reaction (OER) catalysts is crucial for advancing proton exchange membrane water electrolysis (PEMWE) technology, especially in the pursuit of non‐iridium alternatives. Herein, we report a Zn, W co‐doped Ru₃Zn_0.85W_0.15O_x (RZW) ternary oxide catalyst that exhibits a low overpotential of 200 mV and remarkable stability for over 4000 hours at 10 mA cm⁻² in 0.1 M HClO₄. The incorporation of highly electronegative W facilitates the efficient capture of electrons released from the sacrificial Zn species during OER, and subsequently mediated to Ru sites. The observed enhancement in electron density within the stable Ru−O−W motifs substantially improves the anti‐overoxidation properties of the Ru active sites. Our findings highlight the importance of strategic metal doping in modulating the electronic structure of OER catalysts during operation, thereby facilitating the development of practical and long‐lasting water electrolysis technologies.
Well‐Defined PtCo@Pt Core‐Shell Nanodendrite Electrocatalyst for Highly Durable Oxygen Reduction Reaction Peer-reviewed

Shixin Yin, Yiting Song, Heng Liu, Jialin Cui, Zhongliang Liu, Yu Li, Tianrui Xue, Weizheng Tang, Di Zhang, Hao Li, Huihui Li, Chunzhong Li

Small　2025/01/09
Publisher: Wiley
DOI： 10.1002/smll.202410080 　

ISSN： 1613-6810

eISSN： 1613-6829

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Abstract The rational design of efficient electrocatalysts with controllable structure and composition is crucial for enhancing the lifetime and cost‐effectiveness of oxygen reduction reaction (ORR). PtCo nanocrystals have gained attention due to their exceptional activity, yet suffer from stability issues in acidic media. Herein, an active and highly stable electrocatalyst is developed, namely 3D Pt₇Co₃@Pt core‐shell nanodendrites (NDs), which are formed through the self‐assembly of small Pt nanoparticles (≈6 nm). This unique structure significantly improves the ORR with an enhanced mass activity (MA) of 0.54 A mg_Pt⁻¹, surpassing that of the commercial Pt/C (com‐Pt/C) catalyst by three fold (0.17 A mg_Pt⁻¹). The well‐organized dendritic morphology, along with the Pt‐rich shell, contributes significantly to the observed high catalytic activity and superior stability for acidic ORR, which exhibit a loss of 2.1% in MA and, impressively, an increase of 12.0% in specific activity (SA) after an accelerated durability test (ADT) of 40,000 potential‐scanning cycles. This work offers insights for improving the design of highly stable Pt‐based electrocatalysts for acidic ORR.
Coating carbon cloth with Cu3Se2 by electrodeposition for pressure sensing and enhanced EMI shielding

Peng-an Zong, Mengran Chen, Xia Wang, Heng Liu, Zhengxi He, Yixiang Ou, Chuan Sun

Carbon　232　119814-119814　2025/01
Publisher: Elsevier BV
DOI： 10.1016/j.carbon.2024.119814 　

ISSN： 0008-6223
Asymmetric Rh-O-Co bridge sites enable superior bifunctional catalysis for hydrazine-assisted hydrogen production Peer-reviewed

Jinrui Hu, Xuan Wang, Yi Zhou, Meihan Liu, Caikang Wang, Meng Li, Heng Liu, Hao Li, Yawen Tang, Gengtao Fu

Chemical Science　2025
Publisher: Royal Society of Chemistry (RSC)
DOI： 10.1039/d4sc07442d 　

ISSN： 2041-6520

eISSN： 2041-6539

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Hydrazine-assisted water splitting is a promising strategy for energy-efficient hydrogen production, yet challenges remain in developing effective catalysts that can concurrently catalyze both hydrogen evolution reaction (HER) and hydrazine oxidation...
Chemiresistive triethylamine detection based on the novel Ti3C2Tx/Co-BDC gas sensor

Huan Liu, Qingcai Chen, Tengfei Xu, Heng Liu, Lei Miao, Wenhao Liu, Jingwen Cheng, Shu Yin, Chuanyi Wang, Jincai Zhao

Sensors and Actuators B: Chemical　423　136738-136738　2025/01
Publisher: Elsevier BV
DOI： 10.1016/j.snb.2024.136738 　

ISSN： 0925-4005
Synergistic Sr Activation and Cr Buffering Effect on RuO₂ Electronic Structures for Enhancing the Acidic Oxygen Evolution Reaction Peer-reviewed

Zhongliang Liu, Heng Liu, Tianrui Xue, Kai Zhou, Congcong Li, Yongjun Shen, Xiaozhi Su, Zhen-Yu Wu, Hao Li, Huihui Li, Chunzhong Li

Nano Letters　2024/08/26
Publisher: American Chemical Society (ACS)
DOI： 10.1021/acs.nanolett.4c02605 　

ISSN： 1530-6984

eISSN： 1530-6992
Platinum‐Ruthenium Bimetallic Nanoparticle Catalysts Synthesized Via Direct Joule Heating for Methanol Fuel Cells Peer-reviewed

Yeyu Deng, Heng Liu, Leo Lai, Fangxin She, Fangzhou Liu, Mohan Li, Zixun Yu, Jing Li, Di Zhu, Hao Li, Li Wei, Yuan Chen

Small　2024/08/06
Publisher: Wiley
DOI： 10.1002/smll.202403967 　

ISSN： 1613-6810

eISSN： 1613-6829

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Abstract Platinum‐Ruthenium (PtRu) bimetallic nanoparticles are promising catalysts for methanol oxidation reaction (MOR) required by direct methanol fuel cells. However, existing catalyst synthesis methods have difficulty controlling their composition and structures. Here, a direct Joule heating method to yield highly active and stable PtRu catalysts for MOR is shown. The optimized Joule heating condition at 1000 °C over 50 microseconds produces uniform PtRu nanoparticles (6.32 wt.% Pt and 2.97 wt% Ru) with an average size of 2.0 ± 0.5 nanometers supported on carbon black substrates. They have a large electrochemically active surface area (ECSA) of 239 m² g⁻¹ and a high ECSA normalized specific activity of 0.295 mA cm⁻². They demonstrate a peak mass activity of 705.9 mA mg_Pt⁻¹ for MOR, 2.8 times that of commercial 20 wt.% platinum/carbon catalysts, and much superior to PtRu catalysts obtained by standard hydrothermal synthesis. Theoretical calculation results indicate that the superior catalytic activity can be attributed to modified Pt sites in PtRu nanoparticles, enabling strong methanol adsorption and weak carbon monoxide binding. Further, the PtRu catalyst demonstrates excellent stability in two‐electrode methanol fuel cell tests with 85.3% current density retention and minimum Pt surface oxidation after 24 h.
Facet-Dependent Evolution of Active Components on Spinel Co₃O₄ for Electrochemical Ammonia Synthesis Peer-reviewed

Anquan Zhu, Heng Liu, Shuyu Bu, Kai Liu, Chuhao Luan, Dewu Lin, Guoqiang Gan, Yin Zhou, Tian Zhang, Kunlun Liu, Guo Hong, Hao Li, Wenjun Zhang

ACS Nano　2024/08/06
Publisher: American Chemical Society (ACS)
DOI： 10.1021/acsnano.4c06637 　

ISSN： 1936-0851

eISSN： 1936-086X
Oxophilic Tm‐Sites in MoS₂ Trigger Thermodynamic Spontaneous Water Dissociation for Enhanced Hydrogen Evolution Peer-reviewed

Meng Li, Xuan Wang, Han Du, Wenrou Dong, Songbo Ye, Heng Liu, Huamei Sun, Kai Huang, Hao Li, Yawen Tang, Gengtao Fu

Advanced Energy Materials　2024/06/11
Publisher: Wiley
DOI： 10.1002/aenm.202401716 　

ISSN： 1614-6832

eISSN： 1614-6840

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Abstract 2D MoS₂ is acknowledged as a potential alternative to Pt‐based catalysts for hydrogen evolution reaction (HER) due to its suitable ^*H adsorption energy. However, the weak water adsorption capacity of MoS₂ in an alkaline solution limits its performance improvement toward HER. Herein, a novel rare‐earth Tm single atoms decorated MoS₂ (Tm SAs‐MoS₂) catalyst is proposed, and the key role of Tm SAs on the enhanced HER performance of MoS₂ is identified. It is verified that the Tm‐site in MoS₂ contributes to the asymmetric [Mo‐S‐Tm] unit site, which serves as the electron donor to disturb the electronic state and accelerate electron accumulation at surrounding Mo‐S site. The obtained Tm SAs‐MoS₂ exhibits significantly improved HER activity with a low overpotential of 80 mV at 10 mA cm⁻², robust stability and good selectivity in alkaline solution compared with pure MoS₂ and most MoS₂‐based catalysts. In situ Raman and theoretical calculations prove that the oxophilic Tm in [Mo‐S‐Tm] unit sites significantly improves the migration and thermodynamic spontaneous dissociation of interfacial H₂O molecules during HER by the Tm‐4f‐OH orbital overlap. Such [Tm‐S‐Mo] unit site allows the optimal G_*H location of Tm SAs‐MoS₂, which in turn reaches the apex of the theoretical HER volcano plot. This work is expected to open up new avenues for the design of novel alkaline HER catalysts and provide a valuable understanding of rare earth enhanced mechanisms.
Two-dimensional van der Waals stack heterostructures for flexible thermoelectrics Peer-reviewed

Wenhui Li, Xuefei Zhang, Heng Liu, Min Shu, Chuanrui Zhang, Peng-an Zong

Nano Energy　125　109605-109605　2024/06
Publisher: Elsevier BV
DOI： 10.1016/j.nanoen.2024.109605 　

ISSN： 2211-2855
Origin of the Activity of Electrochemical Ozone Production over Rutile PbO2 Surfaces Peer-reviewed

Jin-Tao Jiang, Zhongyuan Guo, Shao-Kang Deng, Xue Jia, Heng Liu, Jiang Xu, Hao Li, Li-Hua Cheng

ChemSusChem　2024/05/24
Publisher: Wiley
DOI： 10.1002/cssc.202400827 　

ISSN： 1864-5631

eISSN： 1864-564X

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Ozonation water treatment technology has attracted increasing attention due to its environmental benign and high efficiency. Rutile PbO2 is a promising anode material for electrochemical ozone production (EOP). However, the reaction mechanism underlying ozone production catalyzed by PbO2 was rarely studied and not well‐understood, which was in part due to the overlook of the electrochemistry‐driven formation of oxygen vacancy (OV) of PbO2. Herein, we unrevealed the origin of the EOP activity of PbO2 starting from the electrochemical surface state analysis using density functional theory (DFT) calculations, activity analysis, and catalytic volcano modeling. Interestingly, we found that under experimental EOP potential (i.e., a potential around 2.2 V vs. reversible hydrogen electrode), OV can still be generated easily on PbO2 surfaces. Our subsequent kinetic and thermodynamic analyses show that these OV sites on PbO2 surfaces are highly active for the EOP reaction through an interesting atomic oxygen (O*)‐O2 coupled mechanism. In particular, rutile PbO2(101) with the “in‐situ” generated OV exhibited superior EOP activities, outperforming (111) and (110). Finally, by catalytic modeling, we found that PbO2 is close to the theoretical optimum of the reaction, suggesting a superior EOP performance of rutile PbO2. All these analyses are in good agreement with experimental observations.
Advancing Thermoelectric Performance of Bi₂Te₃ below 400 K Peer-reviewed

Qingchen Han, Peng-An Zong, Heng Liu, Ziming Zhang, Kelin Shen, Miao Liu, Zhendong Mao, Qingfeng Song, Shengqiang Bai

ACS Applied Materials & Interfaces　2024/05/17
Publisher: American Chemical Society (ACS)
DOI： 10.1021/acsami.4c03307 　

ISSN： 1944-8244

eISSN： 1944-8252
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
Publisher: American Chemical Society (ACS)
DOI： 10.1021/acs.langmuir.4c00298 　

ISSN： 1520-5827
Steering CO₂ Electroreduction to C₂₊ 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　2024/02/02
Publisher: Wiley
DOI： 10.1002/adma.202312204 　

ISSN： 1521-4095
A Doping‐Induced SrCo_0.4Fe_0.6O₃/CoFe₂O₄ 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
Publisher: Wiley
DOI： 10.1002/smll.202308948 　

ISSN： 1613-6829
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　36　(7)　2023/12/07
Publisher: Wiley
DOI： 10.1002/adma.202309266 　

ISSN： 1521-4095
Identifying Stable Electrocatalysts Initialized by Data Mining: Sb₂WO₆ 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　11　(5)　2023/12/07
Publisher: Wiley
DOI： 10.1002/advs.202305630 　

ISSN： 2198-3844
The CatMath: an online predictive platform for thermal + electrocatalysis Invited 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　17　(12)　2023/10/31
Publisher: Springer Science and Business Media LLC
DOI： 10.1007/s11705-023-2371-3 　

ISSN： 2095-0187
The surface states of transition metal X-ides under electrocatalytic conditions Peer-reviewed

Heng Liu, Xue Jia, Ang Cao, Li Wei, Carmine D’agostino, Hao Li

The Journal of Chemical Physics　2023/03/28

DOI： 10.1063/5.0147123 　
Origin of the superior oxygen reduction activity of zirconium nitride in alkaline media Peer-reviewed

Heng Liu, Di Zhang, Stuart M. Holmes, Carmine D'Agostino, Hao Li

Chemical Science　14　(34)　9000-9009　2023
Publisher: Royal Society of Chemistry ({RSC})
DOI： 10.1039/d3sc01827j 　

ISSN： 2041-6520 2041-6539

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<jats:p>This work identifies a new mechanism for the origin of the superior ORR activity of ZrN in alkaline media, combining electrochemical surface state analysis, density functional theory, and pH-dependent microkinetic modeling.</jats:p>
Prussian blue analogue-derived Mn–Fe oxide nanocubes with controllable crystal structure and crystallinity as highly efficient OER electrocatalysts Peer-reviewed

Quanyin Ma, Rui Dong, Heng Liu, Anquan Zhu, Lulu Qiao, Yongjin Ma, Juan Wang, Jianping Xie, jun pan

Journal of Alloys and Compounds　820　153438-153438　2020/04
Publisher: Elsevier {BV}
DOI： 10.1016/j.jallcom.2019.153438 　

ISSN： 0925-8388
Sodium borohydride-assisted synthesis of strontium substituted lanthanum cobaltate with in-situ generated cobaltosic oxide: Towards enhanced oxygen evolution reaction in alkaline media Peer-reviewed

Heng Liu, Pengfei Tan, Quanyin Ma, Rui Dong, Anquan Zhu, Lulu Qiao, Meifang Tang, Erping Li, jun pan

Journal of Colloid and Interface Science　557　103-111　2019/12
Publisher: Elsevier {BV}
DOI： 10.1016/j.jcis.2019.09.023 　

ISSN： 0021-9797

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Presentations 7

Theoretical identification of surface states of metal X-ides under electrocatalytic conditions Invited

The 13th Early Career Researchers Ensemble Workshop　2024/12/11
CatMath: an online predictive platform for thermal + electrocatalysis

CRCGP-MSSP2024　2024/11/19
Verify the real surface state of metal X-ides for oxygen electrocatalysis Invited

2024 Xiangjiang Forum　2024/10/19
Identify the surface state of electrocatalysts Invited

Heng Liu

DTU-AIMR Catalyst Workshop　2024/03/05
A Doping-Induced SrCo0.4Fe0.6O3/CoFe2O4 Nanocomposite for Efficient Oxygen Evolution in Alkaline Media

Heng Liu

PGR conference of the Department of Chemical Engineering
A Novel Designed Perovskite @ Spinel Nanocomposite for Efficient Oxygen Evolution Reaction in Alkaline Solution

Heng Liu

32nd Topical Meeting of the International Society of Electrochemistry
A Novel Designed Perovskite @ Spinel Nanocomposite for Efficient Oxygen Evolution in Alkaline Solution

Heng Liu

8th UK Catalysis Conference　2022/01/07

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Research Projects 2

Explore the pH-dependent surface state and oxygen evolution reaction performance for transition metal carbides

LIU HENG

Offer Organization: 日本学術振興会

System: 科学研究費助成事業

Category: 研究活動スタート支援

Institution: 東北大学

2024/07/31 - 2026/03/31
Ensemble Grants for Early Career Researchers 2024

2024/07 - 2025/03

Teaching Experience 2

Process Heater Transfer　University of Manchester
Catalytic Reaction Engineering　University of Manchester

Academic Activities 1

Guest editor

2024/11/28 - Present

Activity type: Academic society, research group, etc.