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

doi:10.1039/c4cc08658a

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 journal › Journal article › Communication

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 language	English
Journal	Chemical Communications
Volume	51
Issue number	13
Pages (from-to)	2621-2624
Number of pages	4
ISSN	1359-7345
DOIs	https://doi.org/10.1039/c4cc08658a
Publication status	Published - 2015
Externally published	Yes

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

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.",

author = "Yoo, {Jong Suk} and Khan, {Tuhin S.} and Frank Abild-Pedersen and N{\o}rskov, {Jens K.} and Felix Studt",

year = "2015",

doi = "10.1039/c4cc08658a",

language = "English",

volume = "51",

pages = "2621--2624",

journal = "Chemical Communications",

issn = "1359-7345",

publisher = "Royal Society of Chemistry",

number = "13",

}

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T1 - On the role of the surface oxygen species during A-H (A = C, N, O) bond activation

T2 - A density functional theory study

AU - Yoo, Jong Suk

AU - Khan, Tuhin S.

AU - Abild-Pedersen, Frank

AU - Nørskov, Jens K.

AU - Studt, Felix

PY - 2015

Y1 - 2015

N2 - 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.

AB - 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.

U2 - 10.1039/c4cc08658a

DO - 10.1039/c4cc08658a

M3 - Journal article

AN - SCOPUS:84922599674

VL - 51

SP - 2621

EP - 2624

JO - Chemical Communications

JF - Chemical Communications

SN - 1359-7345

IS - 13

ER -