Influence of the hydroxylation of γ-Al 2 O 3 surfaces on the stability and growth of Cu for Cu/γ-Al 2 O 3 catalyst: A DFT study

Applied Surface Science

Volumn 270, Issue , 2013, Pages 728-736

  Li, Jingrui ^a   Zhang, Riguang ^a   Wang, Baojun ^a  

^a TAIYUAN UNIVERSITY OF TECHNOLOGY   (China)

Author keywords

Density functional theory; Growth; Stability; Surface hydroxyl

Indexed keywords

ADSORPTION; ALUMINA; ALUMINUM OXIDE; CATALYSTS; CONVERGENCE OF NUMERICAL METHODS; GROWTH (MATERIALS); HYDRATION; HYDROXYLATION;

CU ATOMS; DFT STUDY; GROWTH ABILITY; SLAB MODEL; SUPPORT INTERACTION; SURFACE HYDROXYL;

DENSITY FUNCTIONAL THEORY;

EID: 84875209850     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2013.01.139     Document Type: Article

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