Isopropanol adsorption on γ-Al2O3 surfaces: A computational study

Journal of Molecular Catalysis A: Chemical

Volumn 304, Issue 1-2, 2009, Pages 58-64

  Feng, Gang ^a   Huo, Chun Fang ^a   Deng, Chun Mei ^a   Huang, Long ^a   Li, Yong Wang ^a   Wang, Jianguo ^a   Jiao, Haijun ^a,b  

^a INSTITUTE OF COAL CHEMISTRY   (China)

^b LEIBNIZ INSTITUT FÜR KATALYSE E V AN DER UNIVERSITÄT ROSTOCK   (Germany)

Author keywords

Al2O3; Adsorption; DFT; Isopropanol

Indexed keywords

ADSORPTION ENERGIES; COMPUTATIONAL STUDIES; DENSITY FUNCTIONAL; DFT; ENERGY LEVELS; ISOPROPANOL; LEWIS SITES; OH GROUPS; STABLE ADSORPTIONS; SURFACE OXYGENS;

DENSITY FUNCTIONAL THEORY; GAS ADSORPTION; HYDRATES; OXYGEN; PROBABILITY DENSITY FUNCTION;

ALUMINUM;

EID: 64849104316     PISSN: 13811169     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molcata.2009.01.024     Document Type: Article

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