A QUANTUM-CHEMICAL APPROACH TO THE INFLUENCE OF PLATINUM SURFACE-STRUCTURE ON THE OXYGEN ELECTROREDUCTION REACTION

被引：45

作者：

ZINOLA, CF

ARVIA, AJ

ESTIU, GL

CASTRO, EA

机构：

[1] NATL UNIV LA PLATA, INST INVEST FISICOQUIM TEOR & APLICADAS, RA-1900 LA PLATA, ARGENTINA

[2] NATL UNIV LA PLATA, QUINOR, PROGRAMA QUIM INORGAN, RA-1900 LA PLATA, ARGENTINA

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1994年 / 98卷 / 31期

关键词：

D O I：

10.1021/j100082a030

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The O-2 electroreduction reaction (OERR) on Pt behaves as a structure sensitive reaction whose peroxo intermediates are formed in a greater extent on Pt(100) than on Pt(111) surfaces. A semiempirical quantum chemistry interpretation of this behavior is attempted on the basis of the study of [Pt]NO2OH systems, where N, the number of atoms in the Pt cluster, equals 18 and 25. Calculations indicate that dissociative O-2 electroadsorption on Pt(111) and molecular O-2 on Pt(100) are favored. As a result of the interactions of O-2 and OH in adjacent positions, hydroperoxide intermediates are formed on Pt(100) leading to the possibility of having H2O2 as product from the OERR.

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页码：7566 / 7576

页数：11

相关论文

共 75 条

[51] INVESTIGATIONS OF THE O-2 REDUCTION REACTION AT THE PLATINUM NAFION INTERFACE USING A SOLID-STATE ELECTROCHEMICAL-CELL [J].

PARTHASARATHY, A ;

MARTIN, CR ;

SRINIVASAN, S .

JOURNAL OF THE ELECTROCHEMICAL SOCIETY, 1991, 138 (04) :916-921

[52] PRESSURE-DEPENDENCE OF THE OXYGEN REDUCTION REACTION AT THE PLATINUM MICROELECTRODE NAFION INTERFACE - ELECTRODE-KINETICS AND MASS-TRANSPORT [J].

PARTHASARATHY, A ;

SRINIVASAN, S ;

APPLEBY, AJ ;

MARTIN, CR .

JOURNAL OF THE ELECTROCHEMICAL SOCIETY, 1992, 139 (10) :2856-2862

[53] ELECTRODE-KINETICS OF OXYGEN REDUCTION AT CARBON-SUPPORTED AND UNSUPPORTED PLATINUM MICROCRYSTALLITE NAFION(R) INTERFACES [J].

PARTHASARTHY, A ;

SRINIVASAN, S ;

APPLEBY, AJ ;

MARTIN, CR .

JOURNAL OF ELECTROANALYTICAL CHEMISTRY, 1992, 339 (1-2) :101-121

[54]

PAULING L, 1992, NATURE CHEM BOND, P45

[55] TIME-OF-FLIGHT INVESTIGATIONS OF O2 SCATTERED FROM PT(111) [J].

POEHLMANN, E ;

SCHMITT, M ;

HOINKES, H ;

WILSCH, H .

SURFACE SCIENCE, 1993, 291 (03) :317-324

[56] AN ABINITIO CONFIGURATION-INTERACTION STUDY OF THE REACTION BETWEEN SMALL LITHIUM CLUSTERS (LI4, LI-6) AND H-2 MOLECULE [J].

PRZYBYLSKI, K ;

KOUTECKY, J ;

BONACICKOUTECKY, V ;

SCHLEYER, PV ;

GUEST, MF .

JOURNAL OF CHEMICAL PHYSICS, 1991, 94 (08) :5533-5543

[57] THE EFFECT OF H2PO4-ANION ON THE KINETICS OF OXYGEN REDUCTION ON PT [J].

ROSS, PN ;

ANDRICACOS, PC .

JOURNAL OF ELECTROANALYTICAL CHEMISTRY, 1983, 154 (1-2) :205-215

[58] GEOMETRY OPTIMIZATION OF ORGANOMETALLIC COMPOUNDS USING A MODIFIED EXTENDED-HUCKEL FORMALISM [J].

SAVARY, F ;

WEBER, J ;

CALZAFERRI, G .

JOURNAL OF PHYSICAL CHEMISTRY, 1993, 97 (15) :3722-3727

[59] CHEMISORPTION OF O AND O-2 ON AG(110) - AN LCGTO-LSD CLUSTER STUDY [J].

SELMANI, A ;

ANDZELM, J ;

SALAHUB, DR .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1986, 29 (04) :829-842

[60] VIBRATIONAL-SPECTRA OF MOLECULAR AND ATOMIC OXYGEN ON AG(110) [J].

SEXTON, BA ;

MADIX, RJ .

CHEMICAL PHYSICS LETTERS, 1980, 76 (02) :294-297

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