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Volumn 606, Issue 21-22, 2012, Pages 1739-1748

A periodic DFT study of ammonia adsorption on the V 2O 5 (001), V 2O 5 (010) and V 2O 5 (100) surfaces: Lewis versus Brönsted acid sites

(6) Yao, Huichao a,b Chen, Yu a,b Wei, Yuechang a,b Zhao, Zhen a,b Liu, Zhichang a,b Xu, Chunming a,b

a CHINA UNIVERSITY OF PETROLEUM (China)

b CHINA UNIVERSITY OF PETROLEUM (China)

Author keywords

Ammonia adsorption; Br nsted acid site; DFT; Lewis acid site; V 2O 5

Indexed keywords

ACID SITE; ADSORPTION ENERGIES; AMMONIA ADSORPTION; BASAL PLANES; DENSITY FUNCTIONAL THEORY METHODS; DFT; LEWIS ACID SITE; PERIODIC DFT; PERIODIC MODELS; RELAXATION MODELS; SINGLE LAYER; STERIC HINDRANCES;

AMMONIA; DENSITY FUNCTIONAL THEORY; HYDROGEN BONDS; PERIODIC STRUCTURES; SURFACE RELAXATION;

GAS ADSORPTION;

EID: 84865261077 PISSN: 00396028 EISSN: None Source Type: Journal
DOI: 10.1016/j.susc.2012.07.020 Document Type: Article

Times cited : (41)

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