一、基本信息：
学位：博士研究生
职称：研究员、博士生导师
电子邮箱：suhy@dgut.edu.cn
招生专业：材料与化工、能源动力
二、教育、工作经历：
2019.8- 东莞理工学院，化学工程与能源技术学院，研究员
2018.7-2019.8 中国科学院大连化学物理研究所，分子反应动力学国家重点实验室，研究员
2015.7-2018.6 中国科学院大连化学物理研究所，分子反应动力学国家重点实验室，副研究员
2011.10-2015.6 中国科学院大连化学物理研究所，催化基础国家重点实验室，副研究员
2011.3-2011.10 中国科学院大连化学物理研究所，催化基础国家重点实验室，助理研究员
2009.1-2010.12 丹麦技术大学，原子尺度材料设计中心，博士后
2005.9-2008.12 中国科学院大连化学物理研究所，催化基础国家重点实验室，博士研究生
三、研究领域：
主要从事能源高效转化相关的催化基础理论研究，利用机器学习、第一性原理计算和微观动力学模拟等方法，开展能源催化转化机理研究及材料设计。共发表SCI论文70余篇，其中以（共同）一作/通讯在Nat. Commun., J. Am. Chem. Soc., Angew. Chem. Int. Ed.和ACS Catal.等期刊发表论文40篇。1篇ESI高被引论文，1篇封面，1篇Feature article，3篇热点论文（1篇内页、1篇周精选），论文总引用9200余次，单篇最高引用4000余次，H因子34。
四、代表性研究成果：
（一）代表性论文/论著
1. Competitive CO2 electrochemical reduction and hydrogen evolution at Sn electrode through constant-potential first-principles study and microkinetic modeling, W. Pang, H. Y. Su*, Z. Mao, Y. Shao, X. Hao, Y. Xu, K. Sun*, ACS Catal. 2025, 15, 8663
2. Machine learning-assisted computational screening of high-entropy alloy catalysts for HCOOH decomposition, X. Liu, K. Sun*, Y. Chen, X. Ma, C. Yu, Z. Su, H. He, J. Lu, H. Y. Su*, J. Mater. Chem. A, 2025, 13, 33692
3. Finding key factors for efficient water and methanol activation at metals, oxides, mxenes, and metal/oxide interfaces, H. Y. Su, K. Sun*, X. Gu, S. Wang, J. Zhu, W. X. Li, C. Sun, F. Calle-Vallejo*, ACS Catal. 2022, 12, 1237
4. Highly selective production of ethylene by electroreduction of carbon monoxide, R. Chen+, H. Y. Su+, D. Liu, R. Huang, X. Meng, X. Cui, Z. Tian, D. Zhang, D. Deng*, Angew. Chem. Int. Ed. 2020, 59, 154 (Hot paper/Frontispiece)
5. Trends in C-O and N-O bond scission on rutile oxides described using oxygen vacancy formation energies, H. Y. Su, X. Ma, K. Sun*, C. Sun, Y. Xu, F. Calle-Vallejo*, Chem. Sci. 2020, 11, 4119 (2020 Chemical Science HOT Article Collection/2020 ChemSci Pick of the Week Collection)
6. Room-temperature electrochemical water–gas shift reaction for high purity hydrogen production, X. Cui+, H. Y. Su+, R. Chen+, L. Yu, J. Dong, C. Ma, S. Wang, J. Li, F. Yang, J. Xiao, M. Zhang, D. Ma, D. Deng*, D. Zhang, Z. Tian, X. Bao, Nat. Commun., 2019, 10, 86 (Feature Article)
（二）科研项目
1. 国家自然科学基金委员会，面上项目，22172026，基于机器学习的高熵合金电化学水气变换阳极材料设计，2022-01至2025-12，60万元，在研，主持。
2. 国家自然科学基金委员会，面上项目，21872136，硫化钼基材料表面配位环境和协同效应对合成气选择性调控的理论研究，2019-01至2022-12，65万元，在研，主持。
3. 国家自然科学基金委员会，面上项目，21273224，基于金属催化材料形貌的反应动力学理论研究，2013-01至2016-12，65万元，已结题，主持。
4. 国家自然科学基金委员会，青年科学基金项目，21103164，高温固体氧化物电解池阳极材料的密度泛函理论研究，2012-01至2014-12，25万元，已结题，主持。
5. 中国科学院大连化学物理研究所催化基础国家重点实验室，自主研究课题，基于金属催化材料形貌的反应动力学理论研究，2012-05至2014-04，30万元，已结题，主持。
6. 东莞理工学院，高层次人才项目，80万元，已结题，主持。
五、获奖、荣誉称号：
1. 2025.12- 湘潭大学博士研究生指导教师
2. 2024.9- 东莞市现代分离技术重点实验室主任
3. 2023.6- 三类东莞市特色人才
4. 2023- 《Frontiers in Materials》期刊Review editor
5. 2021.3- 诺丁汉大学国际联合培养博士项目合作导师
Hai-Yan Su
Ⅰ、Basic information：
Degree：Ph.D.
Job Title：Professor
Email address：suhy@dgut.edu.cn
Admission Majors: Materials and Chemical Engineering, Energy and Power 
Ⅱ、Education and work experience：
2019.8-Present Professor, School of Chemical Engineering and Energy Technology, Dongguan University of Technology
2018.7-2019.8 Professor, State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics (DICP), Chinese Academy of Sciences (CAS)
2015.8-2018.7 Associated Professor, State Key Laboratory of Molecular Reaction Dynamics, DICP, CAS
2011.10-2015.7 Associated Professor, State Key Laboratory of Catalysis, DICP, CAS
2011.3-2011.10 Assistant Professor, State Key Laboratory of Catalysis, DICP, CAS
2009.1-2010.12 Postdoc, Center for Atomic-scale Materials Design, Technical University of Denmark
2005.9-2008.12 Ph.D. student, State Key Laboratory of Catalysis, DICP, CAS
Ⅲ、Research Interests
Mainly engaged in research work in catalytic fundamental theory related to energy-efficient conversion, employing methods such as machine learning, first-principles calculations, and microscopic kinetic simulations to investigate energy catalytic conversion mechanisms and material design. She has authored/co-authored over 70 SCI-indexed papers, including 40 as (co-)first author or corresponding author in prestigious journals such as Nature Communications, Journal of the American Chemical Society, Angewandte Chemie International Edition, and ACS Catalysis. Her work includes 1 ESI Highly Cited Paper, 1 Cover Article, 1 Feature Article, and 3 Hot Papers (1 Inside Cover, 1 Editors' Choice), with a total of >9,200 citations, a single paper exceeding 4,000 citations, and an H-index of 34.
Ⅳ、Representative research achievements：
（Ⅰ）Representative papers/books
1. Competitive CO2 electrochemical reduction and hydrogen evolution at Sn electrode through constant-potential first-principles study and microkinetic modeling, W. Pang, H. Y. Su*, Z. Mao, Y. Shao, X. Hao, Y. Xu, K. Sun*, ACS Catal. 2025, 15, 8663
2. Machine learning-assisted computational screening of high-entropy alloy catalysts for HCOOH decomposition, X. Liu, K. Sun*, Y. Chen, X. Ma, C. Yu, Z. Su, H. He, J. Lu, H. Y. Su*, J. Mater. Chem. A, 2025, 13, 33692
3. Finding key factors for efficient water and methanol activation at metals, oxides, mxenes, and metal/oxide interfaces, H. Y. Su, K. Sun*, X. Gu, S. Wang, J. Zhu, W. X. Li, C. Sun, F. Calle-Vallejo*, ACS Catal. 2022, 12, 1237
4. Highly selective production of ethylene by electroreduction of carbon monoxide, R. Chen+, H. Y. Su+, D. Liu, R. Huang, X. Meng, X. Cui, Z. Tian, D. Zhang, D. Deng*, Angew. Chem. Int. Ed. 2020, 59, 154 (Hot paper/Frontispiece)
5. Trends in C-O and N-O bond scission on rutile oxides described using oxygen vacancy formation energies, H. Y. Su, X. Ma, K. Sun*, C. Sun, Y. Xu, F. Calle-Vallejo*, Chem. Sci. 2020, 11, 4119 (2020 Chemical Science HOT Article Collection/2020 ChemSci Pick of the Week Collection)
6. Room-temperature electrochemical water–gas shift reaction for high purity hydrogen production, X. Cui+, H. Y. Su+, R. Chen+, L. Yu, J. Dong, C. Ma, S. Wang, J. Li, F. Yang, J. Xiao, M. Zhang, D. Ma, D. Deng*, D. Zhang, Z. Tian, X. Bao, Nat. Commun., 2019, 10, 86 (Feature Article)
（Ⅱ）Scientific research project
1. National Natural Science Foundation of China “Design of high-entropy alloy anode materials for electrochemical water-gas shift based on machine learning”, 22172026, $600000. (2022.1-2025.12, Principal investigator)
2. National Natural Science Foundation of China “First-principles study of tuning the selectivity of syngas conversion by coordination environment and synergistic effect on the surfaces of MoS2 based catalysts”, 21872136, $650000. (2019.1-2022.12, Principal investigator)
3. National Natural Science Foundation of China “Kinetics based on density functional theory study of metal morphology”, 21273224, $650000. (2013.1-2016.12, Principal investigator)
4. National Natural Science Foundation of China “DFT study of anode materials in solid oxide electrolytic cells (SOEC) at high temperature”, 21103164, $250000. (2012.1-2014.12, Principal investigator)
5. Self-Topic Fund of State Key Laboratory of Catalysis, Dalian Institute of Chemical Physics “Syngas conversion kinetics based on density functional theory study of Ru and Co morphology”, $300000. (2012.5-2014.12, Principal investigator)
6. Highlevel Talents Project of Dongguan University of Technology, KCYKYQD2017017, $800000. (Principal investigator)
Ⅴ、Awards and honorary titles：
2025.12- Doctoral Supervisor, Xiangtan University
2024.9- Director, Dongguan Key Laboratory of Modern Separation Technology
2023.6- Category III Dongguan Special Talent
2023- Review Editor, Frontiers in Materials
2021.3- Collaborative Supervisor, Nottingham University International Joint PhD Program
