The role of Zn 2+ dopants in the acid-basic catalysis on MgO(001) surface: Ab initio simulations of the dissociative chemisorption of R-O-R′ and R-S-R′ (R, R ′ = H , CH 3 , C 2 H 5 )

The role of Zn 2+ dopants in the acid-basic catalysis on MgO(001) surface: Ab initio simulations of the dissociative chemisorption of R-O-R′ and R-S-R′ (R, R ′ = H , CH 3 , C 2 H 5 )

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Bibliographic Details
Published in:Surface science Vol. 661; pp. 60 - 68
Main Authors: Fonseca, Carla G., Tavares, Sérgio R., Soares, Carla V., daFonseca, Bruno G., Henrique, Fábio J.F.S., Vaiss, Viviane S., Souza, Wladmir F., Chiaro, Sandra S.X., Diniz, Renata, Leitão, Alexandre A.
Format: Journal Article
Language:English
Published: 01-07-2017
Online Access:Get full text
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ISSN:0039-6028
DOI:10.1016/j.susc.2017.03.006