刘智攀
刘智攀(Zhi-Pan Liu) 男，研究员，博士生导师，1976年5月生。专业方向：物理化学，理论化学，理论催化。
课题组详细信息
1997年毕业于上海交通大学化学系后直升入研究生学习，于2000年获得硕士学位。2000至2003年在英国Queen's University of Belfast 攻读理论化学博士学位。2003至2005年在英国剑桥大学化学系表面化学组做博士后研究助手。2003年获得皇家爱尔兰科学院 (Royal Irish Institute)年度青年化学家奖，2004年获得国际化学与应用化学学会（IUPAC）青年化学家奖(全球4人之一)。目前主持科研项目包括国家自然科学基金面上项目、上海浦江人才计划、教育部留学回国人员启动基金。
2001后发表国际论文38篇，其中包括物理和化学领域顶尖期刊18篇（J.Am.Chem.Soc 12 篇，Phy. Rev. Lett. 5篇，Angew.Chem.Int.Ed. 1篇）和邀请专业综述2篇。论文总他引数520多次, 其中2006年被引用144次，单篇最高他引74次，8篇论文他引超过20次,h-index 16。
研究领域：基础表面科学、金属表面催化、纳米氧化物和金属的催化机理、生物酶催化、第一性原理计算方法
Selected Publications (代表论文)：
20.Wang, H.-F.; Liu, Z.-P.* “Comprehensive Mechanism and Structure-Sensitivity of Ethanol Oxidation on Platinum: New Transition-State Searching Method for Resolving Complex Reaction Network”
J. Am. Chem. Soc. 2008, 130,10996
19.Chen, J.; Liu, Z.-P.* “Origin of selectivity switch in Fischer-Tropsch synthesis over Ru and Rh from First-principles statistical mechanics studies””
J. Am. Chem. Soc. 2008, 130, 7929
18.Wang, C.-M.; Fan, K.-N.; Liu, Z.-P.* “Origin of Oxide Sensitivity in Gold-Based Catalysts: A First Principle Study of CO Oxidation over Au Supported on Monoclinic and Tetragonal ZrO2”
J. Am. Chem. Soc 2007, 129, 2642
17.Lane. I. M.; King. D. A.; Liu, Z.-P.; Arnolds. H. “Real-time observation of non-adiabatic surface dynamics: The first picosecond in the dissociation of NO on iridium”
Phys. Rev. Lett. 2006, 97, 186105
16.Liu, Z.-P.*; Wang, C.-M.; Fan, K.-N. “ Single Au Atoms in Heterogeneous Catalysis: Selective 1,3-Butadiene Hydrogenation Over Au/ZrO2”
Angew. Chem. Int. Ed. 2006, 45(41) 6865 (Hot Paper)
15.Fu, H.; Liu, Z.-P.; Li, Z.-H.; Wang, W.-N.; Fan K.-N. “Periodic Density Functional Theory Study of Propane Oxidative Dehydrogenation over V2O5(001) surface”
J. Am. Chem. Soc 2006, 128, 11114
14.Zhang, T. F.; Liu, Z.-P.; Driver, S.M.; Pratt, S.J.; Jenkins, S.J.; King D.A. “Stabilising CO on Au with NO2: electronegative species as promoters on coinage metals?”
Phys. Rev. Lett. 2005, 95, 266102
13.Liu, Z.-P.; Jenkins, S. J.; King, D. A. “Origin and Activity of Oxidised Gold in Water-Gas-Shift Catalysis“,
Phys. Rev. Lett. 2005, 94, 196102
12.Liu, Z.-P.; Jenkins, S. J.; King, D. A. “Role of Nanostructured Dual-oxide Supports in Enhanced catalytic activity: Theory of CO Oxidation over Au/IrO2/TiO2”,
Phys. Rev. Lett. 2004, 93, 156102
11.Liu, Z.-P.; Jenkins, S. J.; King, D. A. “Car exhaust catalysis from first principles: Selective NO reduction under excess O2 conditions on Ir.“
J. Am. Chem. Soc. 2004, 126, 10746
10.Liu, Z.-P.; Jenkins, S. J.; King, D. A. “Why is sliver catalytically active for NO reduction? A unique pathway via an inverted (NO)2 dimer“,
J. Am. Chem. Soc. 2004, 126, 7336
9.Gong, X.-Q; Liu, Z.-P.; Hu, P.; Raval R. “A Systematic Study of CO Oxidation on Metals and Metal Oxides: Density Functional Theory Calculations“,
J. Am. Chem. Soc. 2004, 126, 8
8.Liu, Z.-P.; Jenkins, S. J.; King, D. A. “Step-enhanced selectivity of NO reduction on platinum-group metals“,
J. Am. Chem. Soc. 2003, 125, 14660
7.Liu, Z.-P.; Gong, X.-Q.; Kohanoff, J.; Sanchez C.; Hu, P. “Catalytic Role of Metal Oxides in Gold-based Catalysts: A First Principles Study of CO Oxidation on TiO2 Supported Au“,
Phys. Rev. Lett. 2003, 91, 266102
6.Michaelides, A.; Liu, Z.-P.; Zhang, C. J.; Alavi, A.; King, D. A.; Hu, P. “Identification of General Linear Relationships between Activation Energies and Enthalpy Changes for Dissociation Reactions at Surfaces”,
J. Am. Chem. Soc. 2003, 125, 3704.
5.Liu, Z.-P. and Hu, P. “General Rules for Predicting Where a Catalytic Reaction Should Occur on Metal Surfaces: A Density Functional Theory Study of C-H and C-O Bond Breaking/Making on Flat, Stepped and Kinked Metal Surfaces”,
J. Am. Chem. Soc. 2003, 125, 1958.
4.Liu, Z.-P.; Hu, P. and Alavi, A.“A Density functional theory study on the CO Oxidation on Gold---- The Catalytic Role of Gold in Gold-based catalysts”,
J. Am. Chem. Soc. 2002, 124, 14770.
3.Liu, Z.-P. and Hu, P. “A New Insight into Fischer-Tropsch Synthesis”,
J. Am. Chem. Soc.2002,124, 11568.
2.Liu, Z.-P. and Hu, P. “A Density Functional Theory Study on the Active Center of Fe-Only Hydrogenase: Characterization and Electronic Structure of the Redox States”,
J. Am. Chem. Soc., 2002, 124, 5175.
1.Liu, Z.-P. and Hu, P. “An insight into alkali promotion: A density functional theory study of CO dissociation on K/Rh(111)”,
J. Am. Chem. Soc., 2001, 123, 12596.