A computational exploration of CO2 reduction via CO dimerization on mixed-valence copper oxide surface

2018 ◽  
Vol 20 (25) ◽  
pp. 16906-16909 ◽  
Author(s):  
Chun-Chih Chang ◽  
Elise Y. Li ◽  
Ming-Kang Tsai
Keyword(s):  
Copper Oxide ◽  
Mixed Valence ◽  
Co2 Reduction ◽  
Electron Localization Function ◽  
Oxide Surface ◽  
Electron Localization ◽  
Localization Function ◽  
Computational Exploration

The electron-localization function plots of OCCO adsorbed on Ov–CuO(111), Ov–Cu4O3(202) and Cu2O(111) surfaces.

scholarly journals On the Importance of Clar Structures of Polybenzenoid Hydrocarbons as Revealed by the π-Contribution to the Electron Localization Function

Symmetry ◽  
2010 ◽  
Vol 2 (3) ◽  
pp. 1653-1682 ◽  
Author(s):  
Jun Zhu ◽  
Christian Dahlstrand ◽  
Joshua R. Smith ◽  
Sébastien Villaume ◽  
Henrik Ottosson
Keyword(s):  
Electron Localization Function ◽  
Electron Localization ◽  
Localization Function ◽  
Clar Structures

An Electron Localization Function (ELF) Study of the 2-Norbornyl Cation†

2000 ◽  
Vol 104 (49) ◽  
pp. 11601-11605 ◽  
Author(s):  
Nick H. Werstiuk ◽  
Heidi M. Muchall ◽  
Stéphane Noury
Keyword(s):  
Electron Localization Function ◽  
Electron Localization ◽  
Localization Function
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