Literature DB >> 25571859

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

Jong Suk Yoo1, Tuhin S Khan, Frank Abild-Pedersen, Jens K Nørskov, Felix Studt.   

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.

Entities:  

Year:  2015        PMID： 25571859     DOI： 10.1039/c4cc08658a

Source DB:  PubMed          Journal:  Chem Commun (Camb)        ISSN： 1359-7345            Impact factor:   6.222


  2 in total

1.  Understanding trends in C-H bond activation in heterogeneous catalysis.

Authors:  Allegra A Latimer; Ambarish R Kulkarni; Hassan Aljama; Joseph H Montoya; Jong Suk Yoo; Charlie Tsai; Frank Abild-Pedersen; Felix Studt; Jens K Nørskov
Journal:  Nat Mater       Date:  2016-10-10       Impact factor: 43.841

2.  Understanding the CH4 Conversion over Metal Dimers from First Principles.

Authors:  Haihong Meng; Bing Han; Fengyu Li; Jingxiang Zhao; Zhongfang Chen
Journal:  Nanomaterials (Basel)       Date:  2022-04-29       Impact factor: 5.719
  2 in total

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