Trends in the exchange current for hydrogen evolution

被引:3786
作者
Norskov, JK [1 ]
Bligaard, T
Logadottir, A
Kitchin, JR
Chen, JG
Pandelov, S
Norskov, JK [1 ]
机构
[1] Tech Univ Denmark, Dept Phys, Ctr Atom Scale Mat Phys, DK-2800 Lyngby, Denmark
[2] Univ Delaware, Dept Chem Engn, Newark, DE 19716 USA
[3] Tech Univ Munich, Dept Phys, D-85748 Garching, Germany
关键词
D O I
10.1149/1.1856988
中图分类号
O646 [电化学、电解、磁化学];
学科分类号
081704 ;
摘要
A density functional theory database of hydrogen chemisorption energies on close packed surfaces of a number of transition and noble metals is presented. The bond energies are used to understand the trends in the exchange current for hydrogen evolution. A volcano curve is obtained when measured exchange currents are plotted as a function of the calculated hydrogen adsorption energies and a simple kinetic model is developed to understand the origin of the volcano. The volcano curve is also consistent with Pt being the most efficient electrocatalyst for hydrogen evolution. (c) 2005 The Electrochemical Society. [DOI: 10.1149/1.1856988] All rights reserved.
引用
收藏
页码:J23 / J26
页数:4
相关论文
共 17 条
[1]  
Atkins P.W., 1998, PHYS CHEM, Vsixth, P485
[2]   The Bronsted-Evans-Polanyi relation and the volcano curve in heterogeneous catalysis [J].
Bligaard, T ;
Norskov, JK ;
Dahl, S ;
Matthiesen, J ;
Christensen, CH ;
Sehested, J .
JOURNAL OF CATALYSIS, 2004, 224 (01) :206-217
[3]   On the compensation effect in heterogeneous catalysis [J].
Bligaard, T ;
Honkala, K ;
Logadottir, A ;
Norskov, JK ;
Dahl, S ;
Jacobsen, CJH .
JOURNAL OF PHYSICAL CHEMISTRY B, 2003, 107 (35) :9325-9331
[4]  
Bockris J.O'M., 2000, MODERN ELECTROCHEMIS, DOI DOI 10.1016/j.cattod.2012.08.013
[5]  
Bockris J. OM., 1970, Modern electrochemistry: an introduction to an interdisciplinary area [by], V2
[6]   Hydrogen evolution on silver single crystal electrodes - first results [J].
Eberhardt, D ;
Santos, E ;
Schmickler, W .
JOURNAL OF ELECTROANALYTICAL CHEMISTRY, 1999, 461 (1-2) :76-79
[7]  
Gokhale AA, UNPUB
[8]   Improved adsorption energetics within density-functional theory using revised Perdew-Burke-Ernzerhof functionals [J].
Hammer, B ;
Hansen, LB ;
Norskov, JK .
PHYSICAL REVIEW B, 1999, 59 (11) :7413-7421
[9]   Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set [J].
Kresse, G ;
Furthmuller, J .
COMPUTATIONAL MATERIALS SCIENCE, 1996, 6 (01) :15-50
[10]  
Markovic NM, 1999, INTERFACIAL ELECTROCHEMISTRY, P821