Theoretical study of the decomposition and hydrogenation of H 2O2 on Pd and Au@Pd surfaces: Understanding toward high selectivity of H2O2 synthesis

Journal of Physical Chemistry C

Volumn 115, Issue 15, 2011, Pages 7392-7398

  Li, Jun ^a   Staykov, Aleksandar ^a   Ishihara, Tatsumi ^a   Yoshizawa, Kazunari ^a  

^a KYUSHU UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

AU-PD CATALYSTS; DISPROPORTIONATIONS; HIGH SELECTIVITY; HIGH-ACTIVATION; METAL SURFACES; OH GROUP; PERIODIC DENSITY FUNCTIONAL THEORY CALCULATIONS; THEORETICAL STUDY;

ATOMS; CATALYST SELECTIVITY; CATALYST SUPPORTS; DENSITY FUNCTIONAL THEORY; DISSOCIATION; GOLD ALLOYS; HYDROGEN PEROXIDE; HYDROGENATION; OXYGEN;

PALLADIUM;

EID: 79954602593     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp1070456     Document Type: Article

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37. 2 on the Au@Pd(111) surface occurs at the top-bridge-top site on one Pd atom and one Au atom because the concentration of H atoms around the Au atom is very low. Detailed results are presented in the Supporting Information.