The adsorption of Cu on the CeO2(110) surface

Arunabhiram Chutia; Emma K. Gibson; Matthew R. Farrow; Peter P. Wells; David O. Scanlon; Nikolaos Dimitratos; David J. Willock; C. Richard A. Catlow

doi:10.1039/c7cp04144f

The adsorption of Cu on the CeO2(110) surface

Physical Chemistry Chemical Physics ◽

10.1039/c7cp04144f ◽

2017 ◽

Vol 19 (40) ◽

pp. 27191-27203 ◽

Cited By ~ 8

Author(s):

Arunabhiram Chutia ◽

Emma K. Gibson ◽

Matthew R. Farrow ◽

Peter P. Wells ◽

David O. Scanlon ◽

...

Keyword(s):

Density Functional Theory ◽

Fine Structure ◽

Electronic Properties ◽

Oxidation State ◽

Density Functional ◽

Functional Theory ◽

Copper Species ◽

X Ray ◽

Solvent Environment ◽

X Ray Absorption

A detailed density functional theory (DFT) study coupled with extended X-ray absorption fine structure (EXAFS) experiments on the geometrical and electronic properties of copper species on CeO2 surface demonstrating the effects of oxidation state and solvent environment.

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Time dependent density functional theory study of the near-edge x-ray absorption fine structure of benzene in gas phase and on metal surfaces

The Journal of Chemical Physics ◽

10.1063/1.2967190 ◽

2008 ◽

Vol 129 (6) ◽

pp. 064705 ◽

Cited By ~ 22

Author(s):

Frans A. Asmuruf ◽

Nicholas A. Besley

Keyword(s):

Density Functional Theory ◽

Fine Structure ◽

Gas Phase ◽

Density Functional ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

X Ray ◽

X Ray Absorption ◽

Dependent Density

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Predictions of Pre-edge Features in Time-Resolved Near-Edge X-ray Absorption Fine Structure Spectroscopy from Hole–Hole Tamm–Dancoff-Approximated Density Functional Theory

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.1c00478 ◽

2021 ◽

Author(s):

Edward G. Hohenstein ◽

Jimmy K. Yu ◽

Christoph Bannwarth ◽

Nanna Holmgaard List ◽

Alexander C. Paul ◽

...

Keyword(s):

Density Functional Theory ◽

Fine Structure ◽

Density Functional ◽

Functional Theory ◽

Time Resolved ◽

X Ray ◽

Absorption Fine ◽

Edge Features ◽

X Ray Absorption

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The near-edge X-ray-absorption fine-structure of O2 chemisorbed on Ag(110) surface studied by density functional theory

Surface Science ◽

10.1016/j.susc.2013.06.013 ◽

2013 ◽

Vol 616 ◽

pp. 178-185 ◽

Cited By ~ 3

Author(s):

Oscar Baseggio ◽

Michele Romeo ◽

Giovanna Fronzoni ◽

Mauro Stener

Keyword(s):

Density Functional Theory ◽

Fine Structure ◽

Density Functional ◽

Functional Theory ◽

X Ray ◽

Absorption Fine ◽

X Ray Absorption

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Density functional theory study of the near edge X-ray absorption fine structure and infrared spectroscopy of acetylene and benzene on group IV semiconductor surfaces

Surface Science ◽

10.1016/j.susc.2008.10.043 ◽

2009 ◽

Vol 603 (1) ◽

pp. 158-164 ◽

Cited By ~ 10

Author(s):

Frans A. Asmuruf ◽

Nicholas A. Besley

Keyword(s):

Density Functional Theory ◽

Fine Structure ◽

Infrared Spectroscopy ◽

Density Functional ◽

Group Iv ◽

Density Functional Theory Study ◽

Functional Theory ◽

X Ray ◽

Group Iv Semiconductor ◽

X Ray Absorption

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Preferential Location of Coinage Metal Dopants (M = Ag or Cu) in [Au25–xMx(SC2H4Ph)18]−(x∼ 1) As Determined by Extended X-ray Absorption Fine Structure and Density Functional Theory Calculations

The Journal of Physical Chemistry C ◽

10.1021/jp5085372 ◽

2014 ◽

Vol 118 (43) ◽

pp. 25284-25290 ◽

Cited By ~ 69

Author(s):

Seiji Yamazoe ◽

Wataru Kurashige ◽

Katsuyuki Nobusada ◽

Yuichi Negishi ◽

Tatsuya Tsukuda

Keyword(s):

Density Functional Theory ◽

Fine Structure ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Functional Theory ◽

Coinage Metal ◽

X Ray ◽

Absorption Fine ◽

Preferential Location ◽

X Ray Absorption

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Facet and Phase-dependent Electroanalysis Performance of Nanocrystals in PTS Monitoring: Demonstrated by Density Functional Theory X-ray Absorption Fine Structure Spectroscopy

Persistent Toxic Substances Monitoring ◽

10.1002/9783527344109.ch6 ◽

2018 ◽

pp. 195-261

Author(s):

Wen-Yi Zhou ◽

Xing-Jiu Huang

Keyword(s):

Density Functional Theory ◽

Fine Structure ◽

Density Functional ◽

Functional Theory ◽

X Ray ◽

Absorption Fine ◽

X Ray Absorption ◽

Theory X

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Time-dependent density functional theory calculations of near-edge X-ray absorption fine structure with short-range corrected functionals

Physical Chemistry Chemical Physics ◽

10.1039/b912718f ◽

2009 ◽

Vol 11 (44) ◽

pp. 10350 ◽

Cited By ~ 115

Author(s):

Nicholas A. Besley ◽

Michael J. G. Peach ◽

David J. Tozer

Keyword(s):

Density Functional Theory ◽

Fine Structure ◽

Short Range ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Time Dependent ◽

Functional Theory ◽

X Ray ◽

X Ray Absorption ◽

Dependent Density

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Dopant activation mechanism of Bi wire-δ-doping into Si crystal, investigated with wavelength dispersive fluorescence x-ray absorption fine structure and density functional theory

Journal of Physics Condensed Matter ◽

10.1088/1361-648x/aa6180 ◽

2017 ◽

Vol 29 (15) ◽

pp. 155001 ◽

Cited By ~ 2

Author(s):

Koichi Murata ◽

Christopher Kirkham ◽

Masaru Shimomura ◽

Kiyofumi Nitta ◽

Tomoya Uruga ◽

...

Keyword(s):

Density Functional Theory ◽

Fine Structure ◽

Density Functional ◽

Activation Mechanism ◽

Functional Theory ◽

Dopant Activation ◽

X Ray ◽

Absorption Fine ◽

X Ray Absorption

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C–C bond unsaturation degree in monosubstituted ferrocenes for molecular electronics investigated by a combined near-edge x-ray absorption fine structure, x-ray photoemission spectroscopy, and density functional theory approach

The Journal of Chemical Physics ◽

10.1063/1.3698283 ◽

2012 ◽

Vol 136 (13) ◽

pp. 134308 ◽

Cited By ~ 5

Author(s):

A. Boccia ◽

V. Lanzilotto ◽

A. G. Marrani ◽

S. Stranges ◽

R. Zanoni ◽

...

Keyword(s):

Density Functional Theory ◽

Fine Structure ◽

Molecular Electronics ◽

Density Functional ◽

Photoemission Spectroscopy ◽

Theory Approach ◽

Functional Theory ◽

X Ray ◽

Absorption Fine ◽

X Ray Absorption

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Interaction of Isophorone with Pd(111): A Combination of Infrared Reflection–Absorption Spectroscopy, Near-Edge X-ray Absorption Fine Structure, and Density Functional Theory Studies

The Journal of Physical Chemistry C ◽

10.1021/jp506637v ◽

2014 ◽

Vol 118 (48) ◽

pp. 27833-27842 ◽

Cited By ~ 9

Author(s):

Karl-Heinz Dostert ◽

Casey P. O’Brien ◽

Wiebke Riedel ◽

Aditya Savara ◽

Wei Liu ◽

...

Keyword(s):

Density Functional Theory ◽

Fine Structure ◽

Absorption Spectroscopy ◽

Density Functional ◽

Functional Theory ◽

X Ray ◽

Infrared Reflection Absorption Spectroscopy ◽

Absorption Fine ◽

Infrared Reflection ◽

X Ray Absorption

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