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Generalized Brønsted–Evans–Polanyi relationships and descriptors for O–H bond cleavage of organic molecules on transition metal surfaces.

Authors :
Fajín, José L.C.
Cordeiro, M. Natália D.S.
Illas, Francesc
Gomes, José R.B.
Source :
Journal of Catalysis. May2014, Vol. 313, p24-33. 10p.
Publication Year :
2014

Abstract

Highlights: [•] Bond breaking of general RO–H organic compounds on various metal surfaces. [•] Brønsted–Evans–Polanyi like relationships for the O–H bond break in organics. [•] Activation energy for the O–H bond break versus adsorption energy of the products. [•] Mean absolute error for the BEP is 0.13eV. [•] Good agreement between estimated and calculated data for a test set. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
00219517
Volume :
313
Database :
Academic Search Index
Journal :
Journal of Catalysis
Publication Type :
Academic Journal
Accession number :
95783890
Full Text :
https://doi.org/10.1016/j.jcat.2014.02.011