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

Research output: Contribution to journalArticlepeer-review

52 Scopus citations

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
Pages (from-to)2621-2624
Number of pages4
JournalChemical Communications
Volume51
Issue number13
DOIs
StatePublished - 14 Feb 2015

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