A DFT study on benzene adsorption over a corner site of tungsten sulfides

Catalysis Today

Volumn 130, Issue 1, 2008, Pages 178-182

  Koide, Ryutaro ^a   Hensen, Emiel J M ^b   Paul, Jean F ^c   Cristol, Sylvain ^c   Payen, Edmond ^c   Nakamura, Hiroyuki ^a   van Santen, Rutger A ^b  

^a JAPAN ENERGY CORPORATION   (Japan)

^b EINDHOVEN UNIVERSITY OF TECHNOLOGY   (Netherlands)

^c UNITÉ DE CATALYSE ET DE CHIMIE DU SOLIDE   (France)

Author keywords

Adsorption; Benzene; Density functional theory (DFT); Fourfold coordinated tungsten; Hydrogenation (HYD); Pseudo corner site; Tungsten sulfides (WS2)

Indexed keywords

ADSORPTION; ATOMS; DENSITY FUNCTIONAL THEORY; NICKEL; SULFUR COMPOUNDS; TUNGSTEN;

FOURFOLD COORDINATED TUNGSTEN; PSEUDO-CORNER SITE;

BENZENE;

EID: 36248933645     PISSN: 09205861     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cattod.2007.08.015     Document Type: Article

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