Metal atom chemistry and surface chemistry. 1. Dioxygensilver Ag+,O2-, and tetraoxygensilver, Ag+,O4-, reactive intermediates in the silver atom-dioxygen system. Relevance to surface chemistry

1977 ◽  
Vol 16 (1) ◽  
pp. 59-63 ◽  
Author(s):  
D. McIntosh ◽  
G. A. Ozin
1993 ◽  
Vol 07 (01n03) ◽  
pp. 374-378 ◽  
Author(s):  
Naoshi SUZUKI ◽  
Tatsuya TESHIMA ◽  
Kazuko MOTIZUKI

Self-consistent LAPW band calculations have been carried out systematically for intercalation compounds M 1/3 TiS 2 (M=transition metal, silver, alkali metal) in order to clarify bonding nature between the guest atoms and the host TiS 2. In transition-metal intercalates the guest 3d states hybridize with the S 3p states as well as the Ti 3d states. As the result covalent bonds are formed between the guest 3d and S 3p states, conserving the covalent bonds between the Ti 3d and S 3p states of the host. In Ag 1/3 TiS 2 the Ag 4d states hybridize strongly with the S 3p state and destroy the host covalent bonds between the Ti 3d and S 3p states. In Li 1/3 TiS 2 and K 1/3 TiS 2 there is little hybridization between the guest 2s or 4s states and the host Ti 3d or S 3p states. Cohesive properties of M 1/3 TiS 2 compounds, including stacking structures of the guest atoms, are discussed on the basis of the total energy calculation.


1978 ◽  
Vol 100 (14) ◽  
pp. 4437-4440 ◽  
Author(s):  
Kenneth J. Klabunde ◽  
Thomas Groshens ◽  
Michael Brezinski ◽  
William Kennelly

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