H 2 Dissociation at Metal Surfaces
作者： J. Harris , S. Andersson
DOI: 10.1103/PHYSREVLETT.55.1583
关键词:
摘要: The dissociation of ${\mathrm{H}}_{2}$ at metal surfaces is discussed with particular reference to the role $d$ electrons. It shown that holes a transition serve initially as sinks for $s$ This reduces Pauli repulsion and so entrance-channel activation barrier. $s\ensuremath{-}d$ transfer continues into chemisorption region allows formation metal-H bonds only moderate weakening metal-metal bonds.
osti.gov
harvard.edu
sci-hub.se 参考文章(16)
P. E. M. Siegbahn, Margareta R. A. Blomberg, Charles W. Bauschlicher, The dissociation of H2 on the Ni(100) surface Journal of Chemical Physics. ,vol. 81, pp. 2103- 2111 ,(1984) , 10.1063/1.447834
P. Madhavan, J. L. Whitten, Theoretical studies of the chemisorption of hydrogen on copper The Journal of Chemical Physics. ,vol. 77, pp. 2673- 2683 ,(1982) , 10.1063/1.444094
Felix Greuter, E. Ward Plummer, Chemisorption of atomic hydrogen on Cu(111) Solid State Communications. ,vol. 48, pp. 37- 41 ,(1983) , 10.1016/0038-1098(83)90178-3
M. Weinert, J. W. Davenport, Chemisorption of H on magnetic Ni(001). Physical Review Letters. ,vol. 54, pp. 1547- 1550 ,(1985) , 10.1103/PHYSREVLETT.54.1547
Takao Kwan, Rate of Hydrogen Adsorption on Reduced Copper Bulletin of the Chemical Society of Japan. ,vol. 23, pp. 73- 75 ,(1950) , 10.1246/BCSJ.23.73
George Comsa, Rudolf David, The purely “fast” distribution of H2 and D2 molecules desorbing from Cu(100) and Cu(111) surfaces Surface Science. ,vol. 117, pp. 77- 84 ,(1982) , 10.1016/0039-6028(82)90487-3
J. Harris, R. O. Jones, Density functional theory and molecular bonding. III. Iron‐series dimers Journal of Chemical Physics. ,vol. 70, pp. 830- 841 ,(1979) , 10.1063/1.437516
E. Zaremba, W. Kohn, Theory of helium adsorption on simple and noble-metal surfaces Physical Review B. ,vol. 15, pp. 1769- 1781 ,(1977) , 10.1103/PHYSREVB.15.1769
P. E. M. Siegbahn, Margareta R. A. Blomberg, Charles W. Bauschlicher, Potential energy surfaces of MH2 (M=Co, Fe, and Cu) The Journal of Chemical Physics. ,vol. 81, pp. 1373- 1382 ,(1984) , 10.1063/1.447771
Cyrus Umrigar, John W. Wilkins, Adsorption site, adsorption energy and normal vibration frequency of H on Ni(100) via total-energy calculations. Physical Review Letters. ,vol. 54, pp. 1551- 1554 ,(1985) , 10.1103/PHYSREVLETT.54.1551