Density Functional Theory Study of Monoclinic FeNbO4: Bulk Properties and Water Dissociation at the (010), (011), (110), and (111) Surfaces

2021 ◽  
Author(s):  
Xingyu Wang ◽  
David Santos-Carballal ◽  
Nora H. de Leeuw
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Water Dissociation ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Bulk Properties

Water Dissociation on α1-Hafnium and Ytterbium Substituted Dawson Polyoxotungstates: A Density Functional Theory Study†

2008 ◽  
Vol 112 (50) ◽  
pp. 13002-13005 ◽  
Author(s):  
Etienne Derat ◽  
Emmanuel Lacôte ◽  
Bernold Hasenknopf ◽  
Serge Thorimbert ◽  
Max Malacria
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Water Dissociation ◽  
Density Functional Theory Study ◽  
Functional Theory
Sign in / Sign up

Export Citation Format

Share Document