Adsorption of the formate species on copper surfaces: a DFT study

1999 ◽  
Vol 432 (3) ◽  
pp. 279-290 ◽  
Author(s):  
J.R.B Gomes ◽  
J.A.N.F Gomes
Keyword(s):  
Dft Study ◽  
Copper Surfaces

scholarly journals A DFT study of adsorption of imidazole, triazole, and tetrazole on oxidized copper surfaces: Cu2O(111) and Cu2O(111)-w/o-CuCUS

2015 ◽  
Vol 17 (43) ◽  
pp. 28602-28615 ◽  
Author(s):  
Dunja Gustinčič ◽  
Anton Kokalj
Keyword(s):  
Dft Study ◽  
Copper Surfaces ◽  
P Adsorption

Adsorption of azoles on thermodynamically inferior Cu2O(111) is so much stronger than on superior Cu2O(111)-w/o-CuCUS that it compensates its thermodynamic deficiency, unless the conditions are too oxygen rich and/or azole lean.

DFT study on the adsorption of deprotonated benzotriazole on the defective copper surfaces

2021 ◽  
pp. 109458
Author(s):  
Fengting Li ◽  
Zhikun Wang ◽  
Yunying Jiang ◽  
Shuangqing Sun ◽  
Shougang Chen ◽  
...  
Keyword(s):  
Dft Study ◽  
Copper Surfaces

THE ADSORPTION SITE OF FORMATE (HCOO) ON COPPER SURFACES

1986 ◽  
Vol 47 (C8) ◽  
pp. C8-487-C8-490
Author(s):  
M. D. CRAPPER ◽  
C. E. RILEY ◽  
D. P. WOODRUFF
Keyword(s):  
Adsorption Site ◽  
Copper Surfaces

DFT study of the effect of hidrocarbonated chains on the electronic properties of some oligothiophene derivatives

2009 ◽  
Author(s):  
Manuel Fernández-Gómez ◽  
Amparo Navarro ◽  
MªPaz Fernández-Liencres ◽  
Mónica Moral ◽  
José Manuel Granadino-Roldán ◽  
...  
Keyword(s):  
Electronic Properties ◽  
Dft Study
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