The Chemical Nature of Atomic Oxygen Adsorbed on Rh(111) and Pt(111):  A Density Functional Study

M. Chen; S. P. Bates; R. A. van Santen; C. M. Friend

doi:10.1021/jp971499v

The Chemical Nature of Atomic Oxygen Adsorbed on Rh(111) and Pt(111): A Density Functional Study

The Journal of Physical Chemistry B ◽

10.1021/jp971499v ◽

1997 ◽

Vol 101 (48) ◽

pp. 10051-10057 ◽

Cited By ~ 29

Author(s):

M. Chen ◽

S. P. Bates ◽

R. A. van Santen ◽

C. M. Friend

Keyword(s):

Density Functional ◽

Atomic Oxygen ◽

Chemical Nature ◽

Functional Study ◽

Density Functional Study

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Density Functional Study of the Adsorption of Atomic Oxygen on the (001) Surface of Early Transition-Metal Carbides

The Journal of Physical Chemistry C ◽

10.1021/jp065126i ◽

2006 ◽

Vol 111 (3) ◽

pp. 1307-1314 ◽

Cited By ~ 56

Author(s):

F. Viñes ◽

C. Sousa ◽

F. Illas ◽

P. Liu ◽

J. A. Rodriguez

Keyword(s):

Transition Metal ◽

Density Functional ◽

Atomic Oxygen ◽

Functional Study ◽

Metal Carbides ◽

Density Functional Study ◽

Early Transition Metal ◽

Transition Metal Carbides ◽

Early Transition

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A density functional study of atomic oxygen and water molecule adsorption on Ni(111) and chromium-substituted Ni(111) surfaces

Applied Surface Science ◽

10.1016/j.apsusc.2011.08.107 ◽

2011 ◽

Vol 258 (1) ◽

pp. 442-447 ◽

Cited By ~ 43

Author(s):

Nishith Kumar Das ◽

Tetsuo Shoji

Keyword(s):

Water Molecule ◽

Density Functional ◽

Atomic Oxygen ◽

Functional Study ◽

Density Functional Study ◽

Molecule Adsorption

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A density functional study of atomic oxygen and carbon adsorptions on (100) surface of γ-Uranium

Physica Scripta ◽

10.1088/0031-8949/75/4/024 ◽

2007 ◽

Vol 75 (4) ◽

pp. 506-514 ◽

Cited By ~ 7

Author(s):

Pratik P Dholabhai ◽

Asok K Ray

Keyword(s):

Density Functional ◽

Atomic Oxygen ◽

Functional Study ◽

Density Functional Study

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Combinedab initio and density functional study of ring chain tautomerism in benzofurazan-1-oxide

Journal of Computational Chemistry ◽

10.1002/jcc.5 ◽

1996 ◽

Vol 17 (16) ◽

pp. 1848-1856 ◽

Cited By ~ 2

Author(s):

Guntram Rauhut

Keyword(s):

Density Functional ◽

Functional Study ◽

Density Functional Study

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Density Functional Study of the First-Row Transition-Metal Monoxides*

Zeitschrift für Physikalische Chemie ◽

10.1524/zpch.1996.1.1.039 ◽

1996 ◽

Vol 1 (1) ◽

pp. 39-49

Author(s):

J. Piechota ◽

M. Suffczyński

Keyword(s):

Transition Metal ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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Predicted structures and electronic properties of gallium-indium clusters GamInn–m (n = 4, 6, 8 and m < n): A density functional study

Журнал структурной химии ◽

10.26902/jsc20180501 ◽

2018 ◽

Vol 59 (5) ◽

Keyword(s):

Electronic Properties ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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Electronic structure of oxide, peroxide, and superoxide clusters of the 3d elements: A comparative density functional study

The Journal of Chemical Physics ◽

10.1063/1.2831583 ◽

2008 ◽

Vol 128 (9) ◽

pp. 094307 ◽

Cited By ~ 51

Author(s):

Ellie L. Uzunova ◽

Hans Mikosch ◽

Georgi St. Nikolov

Keyword(s):

Electronic Structure ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

3D Elements

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Density functional study of non-isothermal hard sphere fluids

Molecular Physics ◽

10.1080/00268976.2021.1875077 ◽

2021 ◽

pp. e1875077

Author(s):

Wenhan Jia ◽

Isamu Kusaka

Keyword(s):

Hard Sphere ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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Charge transport properties in functionalized triphenylene and coronene derivatives: a density functional study using different functionals

Molecular Crystals and Liquid Crystals ◽

10.1080/15421406.2020.1870201 ◽

2021 ◽

pp. 1-15

Author(s):

Ziran Chen ◽

Yujin Zhang ◽

Yuan Li ◽

Wenhao Yu

Keyword(s):

Charge Transport ◽

Transport Properties ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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Density Functional Study of Metal-to-Ligand Charge Transfer and Hole-Hopping in Ruthenium(II) Complexes with Alkyl-Substituted Bipyridine Ligands

ACS Omega ◽

10.1021/acsomega.0c01199 ◽

2020 ◽

Author(s):

Salmahaminati ◽

Minori Abe ◽

Indra Purnama ◽

Jacob Yan Mulyana ◽

Masahiko Hada

Keyword(s):

Charge Transfer ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Ligand Charge Transfer

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