An ab initio study of surface electrochemical disproportionation: The case of a water monolayer adsorbed on a Pd(1 1 1) surface
作者： Jean-Sébastien Filhol , Marie-Liesse Doublet
DOI: 10.1016/J.CATTOD.2012.04.023
关键词:
摘要: We present a theoretical study of the structural response of model water monolayers on a Pd(111) surface upon various electrochemical conditions. Whereas the water molecules …
archives-ouvertes.fr
sci-hub.se 
hal.science 参考文章(47)
Sheng Meng, L. F. Xu, E. G. Wang, Shiwu Gao, Vibrational recognition of hydrogen-bonded water networks on a metal surface Physical Review Letters. ,vol. 89, pp. 176104- ,(2002) , 10.1103/PHYSREVLETT.89.176104
P. E. Blöchl, Projector augmented-wave method Physical Review B. ,vol. 50, pp. 17953- 17979 ,(1994) , 10.1103/PHYSREVB.50.17953
M Henderson, The interaction of water with solid surfaces: fundamental aspects revisited Surface Science Reports. ,vol. 46, pp. 1- 308 ,(2002) , 10.1016/S0167-5729(01)00020-6
Tsan-Chuen Leung, CL Kao, WS Su, YJ Feng, Che Ting Chan, None, Relationship between surface dipole, work function and charge transfer: Some exceptions to an established rule Physical Review B. ,vol. 68, pp. 195408- ,(2003) , 10.1103/PHYSREVB.68.195408
R. Gomer, G. Tryson, An experimental determination of absolute half‐cell emf’s and single ion free energies of solvation Journal of Chemical Physics. ,vol. 66, pp. 4413- 4424 ,(1977) , 10.1063/1.433746
Patricia A. Thiel, Theodore E. Madey, The interaction of water with solid surfaces: Fundamental aspects Surface Science Reports. ,vol. 7, pp. 211- 385 ,(1987) , 10.1016/0167-5729(87)90001-X
G. Kresse, D. Joubert, From ultrasoft pseudopotentials to the projector augmented-wave method Physical Review B. ,vol. 59, pp. 1758- 1775 ,(1999) , 10.1103/PHYSREVB.59.1758
Zachary D. Schultz, Scott K. Shaw, Andrew A. Gewirth, Potential Dependent Organization of Water at the Electrified Metal−Liquid Interface Journal of the American Chemical Society. ,vol. 127, pp. 15916- 15922 ,(2005) , 10.1021/JA0543393
A. Shavorskiy, M. J. Gladys, G. Held, Chemical composition and reactivity of water on hexagonal Pt-group metal surfaces Physical Chemistry Chemical Physics. ,vol. 10, pp. 6150- 6159 ,(2008) , 10.1039/B808235A
R. Romero-Rivera, A. G. Camacho, M. Del Valle, G. Alonso, S. Fuentes, J. Cruz-Reyes, HDS of DBT with Molybdenum Disulfide Catalysts Prepared by In Situ Decomposition of Alkyltrimethylammonium Thiomolybdates Topics in Catalysis. ,vol. 54, pp. 561- 567 ,(2011) , 10.1007/S11244-011-9620-2