Issue 13, 2015
From the journal:

Chemical Communications

On the role of the surface oxygen species during A–H (A = C, N, O) bond activation: a density functional theory study†

Jong Suk Yoo,ab   Tuhin S. Khan,ab   Frank Abild-Pedersen,ab   Jens K. Nørskovab  and  Felix Studt*ab  

* Corresponding authors

a SUNCAT Center for Interface Science & Catalysis, Department of Chemical Engineering, Stanford University, Stanford, CA 94305, USA
E-mail: studt@slac.stanford.edu

b SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, CA 94025, USA

Abstract

During A–H (A = C, N, O) bond cleavage on O* or OH* pre-covered (111) surfaces, the oxygen species play the role of modifying the reaction energy by changing the species involved in the initial and final states of the reaction.

Graphical abstract: On the role of the surface oxygen species during A–H (A = C, N, O) bond activation: a density functional theory study

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Article information

DOI
https://doi.org/10.1039/C4CC08658A
Article type
Communication
Submitted
05 Nov 2014
Accepted
03 Jan 2015
First published
05 Jan 2015

Chem. Commun., 2015,51, 2621-2624

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On the role of the surface oxygen species during A–H (A = C, N, O) bond activation: a density functional theory study

J. S. Yoo, T. S. Khan, F. Abild-Pedersen, J. K. Nørskov and F. Studt, Chem. Commun., 2015, 51, 2621 DOI: 10.1039/C4CC08658A

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