Oxidation of supported rhodium clusters by support hydroxy groups

Georgi N. Vayssilov; Bruce C. Gates; Notker Rösch

doi:10.1002/anie.200390357

Oxidation of supported rhodium clusters by support hydroxy groups

Georgi N. Vayssilov, Bruce C. Gates, Notker Rösch

Associate Professorship of Theoretical Chemistry (2008 — 2024)

Research output: Contribution to journal › Article › peer-review

105 Scopus citations

Abstract

The calculated structures of a supported RH6 cluster (depicted) demonstrate that protons of surface OH groups of the oxide support migrate onto the cluster. This migration results in the oxidation of metal atoms that are in close contact with the support. The energy released by this reverse hydrogen spillover is estimated to be 120 kj mol^-1 per OH group.

Original language	English
Pages (from-to)	1391-1394
Number of pages	4
Journal	Angewandte Chemie International Edition in English
Volume	42
Issue number	12
DOIs	https://doi.org/10.1002/anie.200390357
State	Published - 28 Mar 2003

Keywords

Density functional calculations
Rhodium
Supported catalysts
Surface chemistry
Zeolites

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10.1002/anie.200390357

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title = "Oxidation of supported rhodium clusters by support hydroxy groups",

abstract = "The calculated structures of a supported RH6 cluster (depicted) demonstrate that protons of surface OH groups of the oxide support migrate onto the cluster. This migration results in the oxidation of metal atoms that are in close contact with the support. The energy released by this reverse hydrogen spillover is estimated to be 120 kj mol-1 per OH group.",

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AU - Vayssilov, Georgi N.

AU - Gates, Bruce C.

AU - Rösch, Notker

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N2 - The calculated structures of a supported RH6 cluster (depicted) demonstrate that protons of surface OH groups of the oxide support migrate onto the cluster. This migration results in the oxidation of metal atoms that are in close contact with the support. The energy released by this reverse hydrogen spillover is estimated to be 120 kj mol-1 per OH group.

AB - The calculated structures of a supported RH6 cluster (depicted) demonstrate that protons of surface OH groups of the oxide support migrate onto the cluster. This migration results in the oxidation of metal atoms that are in close contact with the support. The energy released by this reverse hydrogen spillover is estimated to be 120 kj mol-1 per OH group.

KW - Density functional calculations

KW - Rhodium

KW - Supported catalysts

KW - Surface chemistry

KW - Zeolites

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DO - 10.1002/anie.200390357

M3 - Article

AN - SCOPUS:0038572592

SN - 1433-7851

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JO - Angewandte Chemie International Edition in English

JF - Angewandte Chemie International Edition in English

IS - 12

ER -

Oxidation of supported rhodium clusters by support hydroxy groups

Abstract

Keywords

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