Premium
Inside Cover: A Computational Investigation of the Catalytic Properties of Graphene Oxide: Exploring Mechanisms by using DFT Methods (ChemCatChem 11/2012)
Author(s) -
Boukhvalov Danil W.,
Dreyer Daniel R.,
Bielawski Christopher W.,
Son YoungWoo
Publication year - 2012
Publication title -
chemcatchem
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 1.497
H-Index - 106
eISSN - 1867-3899
pISSN - 1867-3880
DOI - 10.1002/cctc.201290040
Subject(s) - graphene , acetophenone , oxide , catalysis , benzaldehyde , benzyl alcohol , cover (algebra) , materials science , molecule , computational chemistry , hydrogen , chemistry , nanotechnology , organic chemistry , mechanical engineering , engineering
Graphene for Hard Graft The cover picture shows a scheme of the two‐step oxidation process of 1‐phenylethanol to acetophenone over a graphene oxide surface realized by migration of hydrogen atoms from molecule to catalyst with its partial reduction proposed from DFT calculations. In their full paper on p. 1844 ff., Danil W. Boukhvalov et al. report on their computational investigation of the catalytic properties of graphene oxide. They used the oxidation of benzyl alcohol to benzaldehyde as their model reaction.