Mechanistic aspects in the direct synthesis of hydrogen peroxide on PdAu catalyst from first principles

Catalysis Today

Volumn 248, Issue , 2015, Pages 142-148

  Li, Jun ^a,b   Yoshizawa, Kazunari ^b,c  

^a KYUSHU UNIVERSITY   (Japan)

^b NANJING TECH UNIVERSITY   (China)

^c KYOTO UNIVERSITY   (Japan)

Author keywords

Density functional theory calculations; Hydrogen peroxide synthesis; Mechanism; Palladium gold catalyst; Selectivity

Indexed keywords

CALCULATIONS; CATALYST ACTIVITY; CATALYSTS; DENSITY FUNCTIONAL THEORY; HYDROGEN; HYDROGEN PEROXIDE; MECHANISMS; OXIDATION; PEROXIDES; SYNTHESIS (CHEMICAL);

BIMETALLIC CATALYSTS; DFT CALCULATION; DIRECT SYNTHESIS; FIRST PRINCIPLES; GOLD CATALYSTS; HIGH SELECTIVITY; MECHANISTIC ASPECTS; PD-AU CATALYSTS;

CATALYST SELECTIVITY;

EID: 85027956220     PISSN: 09205861     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cattod.2014.04.009     Document Type: Review

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