基本信息
苏海燕女硕导中国科学院大连化学物理研究所
电子邮件： hysu@dicp.ac.cn
通信地址： 大连化物所1113组
邮政编码：
部门/实验室：研究生部
研究领域1.理论催化
2.表面科学
3.理论电化学

招生信息
招生专业070304-物理化学

招生方向理论催化,表面科学,理论电催化


教育背景2005-09--大连化物所博士
2002-09--哈尔滨师范大学硕士
1998-09--哈尔滨师范大学学士

学历博士

学位博士

工作经历
2009.1-2010.12 丹麦技术大学，原子尺度材料设计中心，博士后
Jens Norskov、JanRossmeisl

2011.3-至今 中国科学院大连化学物理研究所
2011.3-2015.6 催化基础国家重点实验室，理论催化组
2015.7-至今 分子反应动力学国家重点实验室，气相与表面动力学研究组



发表论文
Room-Temperature ElectrochemicalWater-Gas Shift Reaction for High Purity Hydrogen Production, X. J. Cui⁺,H. Y. Su⁺,R. X. Chen⁺, L. Yu, J. Dong, C. Ma, S. H. Wang, J. F. Li, F.Yang, J. P. Xiao, M. T. Zhang, D. Ma, D. H. Deng*, D. H. Zhang, Z. Q. Tian, X.H. Bao, Nat. Commun. 2019, 10, 86 (Feature article)
Structures and stability of adsorbed methanol on TiO₂ (110) surface studied by ab initio thermodynamics and kinetic Monte Carlo simulation, K. J. Sun, H. Y. Su, W. X. Li, Theo. Chem. Acc., 2018, 137, 128
First-Principles and Microkinetic Simulation Studies of the Structure Sensitivity of Cu Catalyst for Methanol Steam Reforming, S. S. Wang, X. K. Gu, H. Y. Su, W. X. Li*, J. Phys. Chem. C, 2018, 122, 10811
First-Principles Microkinetic Study of Methanol Synthesis on Cu(221) and ZnCu(221) Surfaces, S. S. Wang, M. Z. Jian, H. Y. Su, W. X. Li*, Chin. J. Chem. Phys., 2018, 31, 284
Crystallographic Dependence of COActivation on Cobalt Catalysts: HCP versus FCC, J. X. Liu⁺, H.Y. Su⁺, D. P. Sun, W. X. Li*, J. Am. Chem.Soc. 2013, 135 ,16284
Theoreticalinsights and the corresponding construction of supported metal catalysts forhighly selective CO₂-to-CO conversion, X. D. Chen, X. Su, H. Y. Su*, X. Y. Liu, S. Miao, Y. H. Zhao, K. J.Sun, Y. Q. Huang*, T. Zhang, ACS Catal., 2017, 7, 4613
First-Principles Study of StructureSensitivity of Chain Growth and Selectivity in Fischer-Tropsch Synthesis on HCPCobalt Catalysts, H. Y. Su, Y. H. Zhao, J. X. Liu, K. J. Sun*, W.X. Li*, Catal. Sci. Technol.2017, 7, 2967. (期刊热点论文)
Differentiating Intrinsic Reactivity of Copper, Copper-Zinc Alloy, and Copper/Zinc Oxide Interface for Methanol Steam Reforming by First-Principles Theory, S. S. Wang⁺, H. Y. Su⁺, X. K. Gu, W. X. Li*, J. Phys. Chem. C, 2017, 121, 21553
H₂O and CO coadsorption on Co (0001): The effect of intermolecular hydrogen bond, J. W. Wu, J. Chen, Q. Guo*, H. Y. Su*, D. X. Dai, X. M. Yang*, Surf. Sci. 2017, 663, 56
Chemical Insights into the Design and Development of Face-centered cubic Ruthenium Catalysts for Fischer-Tropsch Synthesis, W. Z. Li, J. X. Liu, J. Gu, W. Zhou, S. Y. Yao, R. Si, Y. Guo, H. Y. Su, C. H. Yan, W. X. Li*, Y. W. Zhang*, D. Ma, J. Am. Chem. Soc. 2017, 139, 2267
Carbon induced selective regulation of cobaltbased Fischer-Tropsch catalysts by ethylene treatment, P. Zhai, P. P. Chen, J. L. Xie, J. X. Liu, H. B. Zhao, L. L. Lin, B. Zhao, H. Y. Su, Q. J. Zhu, W. X. Li*, D. Ma*, Faraday Discuss., 2017, 197, 207
Establishing and Understanding Adsorption?Energy Scaling Relations with Negative Slopes, H. Y. Su⁺, K. J. Sun⁺, W. Q. Wang, Z. H. Zeng, F. Calle-Vallejo*, W. X. Li*, J. Phys. Chem. Lett. 2016, 7, 5302.
CO Dissociation on Face-Centered Cubic and Hexagonal Close-Packed Nickel Catalysts: A First-Principles Study, J. X. Liu, B. Y. Zhang, P. P. Chen, H. Y. Su, W. X. Li*, J. Phys. Chem. C, 2016, 120, 24895
DFT Study of the Stability of Oxygen Vacancy in Cubic ABO₃ Perovskites, H. Y. Su, K. J. Sun*, J. Mater. Sci. 2015, 50, 1701.
High Alcohols Synthesis via Fischer-Tropsch Reaction at Cobalt Metal/Carbide Interface, Y. P. Pei, J. X. Liu, Y. H. Zhao, Y. J. Ding*, T. Liu, W. D. Dong, H. J. Zhu, H. Y. Su, L. Yan, J. L. Li, W. X. Li*, ACS Catal., 2015, 5, 3620
Preferential cleavage of C-C bonds over C-N bonds at interfacial CuO-Cu₂O sites, M. Wang, X. K. Gu, H. Y. Su, J. M. Lu, J. P. Ma, M. Yu, Z. Zhang, F. Wang*, J. Catal., 2015, 330, 458
A First-Principles Study of Carbon-OxygenBond Scission in Multiatomic Molecules on Flat and Stepped Metal Surfaces, Y. H. Zhao, J. X. Liu, H. Y. Su*, W. X. Li*, ChemCatChem, 2014,6, 1755
Single Pd Atom Embedded in CeO₂(111) for NO Reduction with CO: A First-Principles Study, W. C. Ding, X. K. Gu, H. Y. Su, W. X. Li*, J. Phys. Chem. C, 2014, 118, 12216
Co–Co₂C and Co–Co₂C/AC Catalysts for Hydroformylation of 1-Hexene under Low Pressure: Experimental and Theoretical Studies, W. D. Dong, J. X. Liu, H. J. Zhu, Y. J. Ding*, Y. P. Pei, J. Liu, H. Du, M. Jiang, T. Liu, H. Y. Su, W. X. Li*, J. Phys. Chem. C, 2014, 118, 19114
Stability of Polar ZnO Surfaces Studied by Pair Potential Method and Local Energy Density Method, K. J. Sun, H. Y. Su, W. X. Li*, Theo. Chem. Acc. 2014, 133, 1427
Structure Sensitivity of CO Methanationon Co (0001), (10-12) and (11-20) Surfaces: Density Functional TheoryCalculations, J. X. Liu, H. Y. Su*, W. X. Li*, Catal. Today,2013, 215, 36
Platinum-Modulated Cobalt Nanocatalystsfor Low-Temperature Aqueous-Phase Fischer-Tropsch Synthesis, H. Wang, W. Zhou,J. X. Liu, R. Si , G. Sun, M. Q. Zhong , H. Y. Su, S. J.Pennycook , J. C. Idrobo, W. X. Li*, Y. Kou*, D. Ma*, J. Am. Chem. Soc. 2013, 135, 4149
Number of Outer Electrons as Descriptor for Adsorption Processes on Transition Metals and Their Oxides, F. Calle-Vallejo, N. G. Inoglu, H. Y. Su, J. I. Martinez, I. C. Man, MTM. Koper, J. Kitchin, J. Rossmeisl, Chem. Sci., 2013, 4, 1245
First-principles Study of Water Activation on Cu-ZnO Catalysts, K. Yao, S. S. Wang, X. K. Gu, H. Y. Su, W. X. Li*, Chin. J. Catal. 2013, 34, 1705
Ab Initio Atomistic Thermodynamics Study of Pt₃Ni (111) Surface under Oxygen Environments, D. P. Sun, Y. H. Zhao, H. Y. Su, W. X. Li*, Chin. J. Catal. 2013, 34, 1434
Identifying Active Surface Phases for Metal Oxide Electrocatalysts: A Study of Manganese Oxide Bi-functional Catalysts for Oxygen Reduction and Water Oxidation Catalysis, H. Y. Su, Y. Gorlin, I. C. Man, F. Calle-Vallejo, J. K. Norskov, T. F. Jaramillo*, J. Rossmeisl*, Phys. Chem. Chem. Phys., 2012, 14, 14010
CO Oxidation at the Perimeters of an FeO/Pt(111) Interface and How Water Promotes the Activity: A First-Principles Study, X. K. Gu, R. H. Ouyang, D. P. Sun, H. Y. Su, W. X. Li*, Chem. Sus. Chem., 2012, 5, 871
Theoretical Study of the Role of a Metal-Cation Ensemble at the Oxide-Metal Boundary on CO Oxidation, D. P. Sun, X. K. Gu, R. H. Ouyang, H. Y. Su, Q. Fu, X. H. Bao, W. X. Li*, J. Phys. Chem. C, 2012, 116, 7491
Structural and Electronic Properties of Cobalt Carbide Co₂C and Its Surface Stability: Density Functional Theory Study, Y. H. Zhao, H. Y. Su, K. J. Sun, W. X. Li*, Surf. Sci. 2012, 606, 598
Force Reversed Method for Locating Transition States, K. J. Sun, Y. H. Zhao, H. Y. Su, W. X. Li*, Theo. Chem. Acc., 2012, 131, 1118
Density Functional Theory Study of Ethylene Hydroformylation on Rh(111) and RhCu(111) Surface, X. F. Ma, Y. H. Zhao, H. Y. Su, W. X. Li*, Chin. J. Catal. 2012, 33, 170
Rh-Decorated Cu Alloy Catalyst for Improved C2 Oxygenate Formation from Syngas, Y. H. Zhao, M. M. Yang, D. P. Sun, H. Y. Su*, K. J. Sun, J. X. Liu, X. H. Bao, W. X. Li*, J. Phys. Chem. C, 2011, 115, 18247
Structure Evolution of Pt-3d Transition Metal Alloys under Reductive and Oxidizing Conditions and Effect on the CO Oxidation: A First-principles Study, H. Y. Su, X. K. Gu, X. F. Ma, Y. H. Zhao, X. H. Bao, W. X. Li*, Catal. Today, 2011, 165, 89
Carbon Chain Growth by Formyl Insertionon Rhodium and Cobalt Catalysts in Syngas Conversion, Y. H. Zhao, K. J. Sun, X.F. Ma, J. X. Liu, D. P. Sun, H. Y. Su, W. X. Li*, Angew. Chem. Int. Ed., 2011, 50, 5335
Universality in Oxygen Evolution Electrocatalysis on Oxide Surfaces, I. C. Man, H. Y. Su, F. Calle-Vallejo, J. I. Martinez, N. G. Inoglu, J. Kitchin, T. F. Jaramillo, J. Norskov, J. Rossmeisl*, ChemCatChem, 2011, 3, 1159 (ESI高被引论文/封面)
Tailoring the Activity for Oxygen Evolution Electrocatalysis on Rutile TiO2(110) by Transition-Metal Substitution, M. Mota, A. Vojvodic, H. Metiu, I. C. Man, H. Y. Su, J. Rossmeisl, J. K. Norskov*, ChemCatChem, 2011, 3, 1607
Carbon Monoxide Adsorption and Dissociation on Mn-decorated Rh(111) and Rh(553) Surfaces: A First-principles Study, X. F. Ma, H. Y. Su, H. Q. Deng, W. X. Li*, Catal. Today, 2011, 160, 228
Interface-Confined Ferrous Centers for Catalytic Oxidation, Q. Fu⁺, W. X. Li⁺, Y. X. Yao, H. Y. Liu, H. Y. Su, D. Ma, X. K. Gu, L. M. Chen, Z. Wang, H. Zhang, B. Wang, X. H. Bao*, Science 2010, 328, 1141 (ESI高被引论文)
First-Principles Study of Carbon Monoxide Oxidation on Ag(111) in Presence of Subsurface Oxygen and Stepped Ag(221), H. Y. Su, Z. H. Zeng, X. H. Bao*, W. X. Li*, J. Phys. Chem. C 2009, 113, 8266
Reversible Structural Modulation of Fe-Pt Bimetallic Surfaces and Its Effect on Reactivity, T. Ma, Q. Fu*, H. Y. Su, H. Y. Liu, W. X. Li, X. H. Bao*, Chem. Phys. Chem., 2009, 10, 1013
The Effect of Water on the CO Oxidation on Ag(111) and Au(111) Surfaces: A First-Principle Study, H. Y. Su, M. M. Yang, X. H. Bao*, W. X. Li*, J. Phys. Chem. C 2008, 112, 17303
Modulating the Reactivity of Ni-containing Pt(111)-skin Catalysts by Density Functional Theory Calculations, H. Y. Su, X. H. Bao*, W. X. Li*, J. Chem. Phys., 2008, 128, 194707
Density Function Theory Study of CO Catalytic Oxidation on Pt(111) Pt₃Ni(111) Surfaces, H. Y. Su, W. X. Li*, X. H. Bao*, Chin. J. Catal. 2008, 29, 683










科研项目
国家自然科学基金青年科学基金“高温固体氧化物电解池（SOEC）阳极材料的密度泛函理论研究”，**，主持，总经费25万。(2012.1-2014.12)
国家自然科学基金面上项目“基于金属催化材料形貌的反应动力学理论研究”，**， 主持，总经费65万。(2013.1-2016.12)
国家自然科学基金面上项目“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”，**， 主持，总经费65万。(2019.1-2022.12)
大连化物所催化基础国家重点实验室自主研究课题“基于Ru、Co催化材料形貌的合成气反应动力学理论研究”，主持，总经费30万。（2012.5-2014.12）
中国科学院战略性先导科技专项“聚焦资源高效利用的纳米催化技术”，主持子子课题。（2016.1-2018.6）
神华集团低碳研究所研究项目“高温电化学电解水和二氧化碳工艺”，RD**，参与。（2010.12-2011.11）
科技部国家重点研发计划纳米科技专项“新型纳米材料高效结构优化、功能预测及材料设计”，参与。（2017.7-2022.6）
中国科学院前沿科学重大突破择优支持项目“能源化学转化的基元与催化科学问题”，参与，总经费200万。（2014.1-2015.12）
延长石油-大连化物所探索性项目“合成气选择性转换到乙醇的理论探索”，参与，总经费40万。（2011.1-2011.12）
大连化物所创新基金“高效钴基催化剂合成气选择性转换的理论研究”，参与，总经费40万。（2011.8-2013.7）
大连化物所甲醇转化与煤代油新技术基础研究专项基金“晶相调控合成气转化反应的理论研究”，参与，总经费150万。（2014.1-2016.12）