Insight into the adsorption of water on the clean CeO 2(111) surface with van der waals and hybrid density functionals

Journal of Physical Chemistry C

Volumn 116, Issue 25, 2012, Pages 13584-13593

  Fernández Torre, Delia ^a   Kośmider, Krzysztof ^a,b   Carrasco, Javier ^c   Ganduglia Pirovano, M Verónica ^c   Pérez, Rubén ^a  

^a UNIVERSIDAD AUTÓNOMA DE MADRID   (Spain)

^b UNIVERSITY OF WROC AW   (Poland)

^c INSTITUTO DE CATÁLISIS Y PETROLEOQUÍMICA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION OF WATER; ADSORPTION STATE; CATALYTIC APPLICATIONS; CERIUM ATOMS; DENSITY FUNCTIONAL THEORY CALCULATIONS; DENSITY FUNCTIONALS; EXCHANGE AND CORRELATION; EXCHANGE-CORRELATION FUNCTIONALS; EXPERIMENTAL VALUES; FUNCTIONALS; GENERALIZED GRADIENT APPROXIMATIONS; H-BONDS; HYBRID DENSITY; LOWEST ENERGY STRUCTURE; PERDEW-BURKE-ERNZERHOF; STABLE CONFIGURATION; SURFACE OXYGEN; VAN DER WAALS;

ADSORPTION; BINDING ENERGY; CERIUM; CERIUM COMPOUNDS; DENSITY FUNCTIONAL THEORY; HYDROGEN BONDS; MOLECULAR STRUCTURE; VAN DER WAALS FORCES;

DEWATERING;

EID: 84863084195     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp212605g     Document Type: Article

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