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Journal article

Universal Brønsted-Evans-Polanyi Relations for C–C, C–O, C–N, N–O, N–N, and O–O Dissociation Reactions

In Catalysis Letters — 2011, Volume 141, Issue 3, pp. 370-373

By Wang, Shengguang¹; Temel, Burcin¹; Shen, Juan¹; Jones, Glenn¹; Grabow, Lars¹; Studt, Felix¹; Bligaard, Thomas^1,2; Abild-Pedersen, Frank¹; Christensen, Claus H.³; Nørskov, Jens Kehlet^1,2

From

Department of Physics, Technical University of Denmark¹

Computational Atomic-scale Materials Design, Department of Physics, Technical University of Denmark²

Haldor Topsoe AS³

Abstract

It is shown that for all the essential bond forming and bond breaking reactions on metal surfaces, the reactivity of the metal surface correlates linearly with the reaction energy in a single universal relation. Such correlations provide an easy way of establishing trends in reactivity among the different transition metals.

Language:	English
Publisher:	Springer US
Year:	2011
Pages:	370-373
ISSN:	1572879x and 1011372x
Types:	Journal article
DOI:	10.1007/s10562-010-0477-y
ORCIDs:	Bligaard, Thomas and Nørskov, Jens Kehlet

Keywords

BEP relations Bond breaking reactions Coupling reactions Density functional theory Scaling relations Stepped surfaces

Other keywords

Catalysis Chemistry Industrial Chemistry/Chemical Engineering Organometallic Chemistry Physical Chemistry

Universal Brønsted-Evans-Polanyi Relations for C–C, C–O, C–N, N–O, N–N, and O–O Dissociation Reactions

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Universal Brønsted-Evans-Polanyi Relations for C–C, C–O, C–N, N–O, N–N, and O–O Dissociation Reactions

DTU Library

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