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, Tuhin S. Khan, Frank Abild-Pedersen, Jens K. Nørskov, Felix Studt*

*Corresponding author for this work

Research output: Contribution to journalJournal articleCommunication

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.

Original languageEnglish
JournalChemical Communications
Volume51
Issue number13
Pages (from-to)2621-2624
Number of pages4
ISSN1359-7345
DOIs
Publication statusPublished - 2015
Externally publishedYes

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