Density functional theory study of direct synthesis of H2O2 from H2 and O2 on Pd(111), Pd(100), and Pd(110) surfaces

Cuihua Xuebao/Chinese Journal of Catalysis

Volumn 34, Issue 5, 2013, Pages 1002-1012

  Tian, Pengfei ^a   Ouyang, Like ^a   Xu, Xinchao ^a   Xu, Jing ^a   Han, Yi Fan ^a  

^a EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

Author keywords

Density functional theory; Direct synthesis; Hydrogen; Hydrogen peroxide; Oxygen; Palladium

Indexed keywords

BOND ENERGIES; DENSITY FUNCTIONAL THEORY STUDIES; DIRECT SYNTHESIS; DISSOCIATION BARRIER; ELEMENTARY STEPS; PD(111); PERIODIC DENSITY FUNCTIONAL THEORY; SURFACE SPECIES;

BINDING ENERGY; DENSITY FUNCTIONAL THEORY; HYDROGEN; HYDROGEN PEROXIDE; OXYGEN; PALLADIUM; PEROXIDES; SYNTHESIS (CHEMICAL);

CHEMICAL BONDS;

EID: 84878260654     PISSN: 02539837     EISSN: None     Source Type: Journal    
DOI: 10.1016/s1872-2067(12)60537-3     Document Type: Article

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