Probing the structural and electronic properties of small vanadium dioxide clusters by density functional theory and comparison with experimental photoelectron spectroscopy

Huai-Qian Wang; Hui-Fang Li

doi:10.1063/1.4760658

Probing the structural and electronic properties of small vanadium dioxide clusters by density functional theory and comparison with experimental photoelectron spectroscopy

The Journal of Chemical Physics ◽

10.1063/1.4760658 ◽

2012 ◽

Vol 137 (16) ◽

pp. 164304 ◽

Cited By ~ 11

Author(s):

Huai-Qian Wang ◽

Hui-Fang Li

Keyword(s):

Density Functional Theory ◽

Electronic Properties ◽

Photoelectron Spectroscopy ◽

Vanadium Dioxide ◽

Density Functional ◽

Functional Theory ◽

Structural And Electronic Properties

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Structural and electronic properties of iron monoxide clusters FenO and FenO− (n=2–6): A combined photoelectron spectroscopy and density functional theory study

The Journal of Chemical Physics ◽

10.1063/1.1621856 ◽

2003 ◽

Vol 119 (21) ◽

pp. 11135-11145 ◽

Cited By ~ 39

Author(s):

Gennady L. Gutsev ◽

Charles W. Bauschlicher ◽

Hua-Jin Zhai ◽

Lai-Sheng Wang

Keyword(s):

Density Functional Theory ◽

Electronic Properties ◽

Photoelectron Spectroscopy ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Structural And Electronic Properties

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Structural and Electronic Properties of ConC3−/0and ConC4−/0(n=1−4) Clusters: Mass-Selected Anion Photoelectron Spectroscopy and Density Functional Theory Calculations

Chinese Journal of Chemical Physics ◽

10.1063/1674-0068/30/cjcp1710197 ◽

2017 ◽

Vol 30 (6) ◽

pp. 717-726 ◽

Cited By ~ 2

Author(s):

Xi-ling Xu ◽

Jin-yun Yuan ◽

Bin Yang ◽

Hong-guang Xu ◽

Wei-jun Zheng

Keyword(s):

Density Functional Theory ◽

Electronic Properties ◽

Photoelectron Spectroscopy ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Functional Theory ◽

Structural And Electronic Properties ◽

Anion Photoelectron Spectroscopy

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Probing the structural and electronic properties of anionic europium-doped silicon clusters by density functional theory and comparison of experimental photoelectron spectroscopy

Chemical Physics ◽

10.1016/j.chemphys.2020.110918 ◽

2020 ◽

Vol 538 ◽

pp. 110918

Author(s):

Yi-Wei Fan ◽

Huai-Qian Wang ◽

Hui-Fang Li

Keyword(s):

Density Functional Theory ◽

Electronic Properties ◽

Photoelectron Spectroscopy ◽

Density Functional ◽

Silicon Clusters ◽

Functional Theory ◽

Structural And Electronic Properties ◽

Doped Silicon

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Structural and electronic properties of small titanium clusters: A density functional theory and anion photoelectron spectroscopy study

The Journal of Chemical Physics ◽

10.1063/1.1532000 ◽

2003 ◽

Vol 118 (5) ◽

pp. 2116-2123 ◽

Cited By ~ 66

Author(s):

Miguel Castro ◽

Shu-Rong Liu ◽

Hua-Jin Zhai ◽

Lai-Sheng Wang

Keyword(s):

Density Functional Theory ◽

Electronic Properties ◽

Photoelectron Spectroscopy ◽

Density Functional ◽

Spectroscopy Study ◽

Functional Theory ◽

Structural And Electronic Properties ◽

Anion Photoelectron Spectroscopy

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Ni-doping effects on the c-BN structural and electronic properties from density functional theory calculations

Journal of Physics Conference Series ◽

10.1088/1742-6596/1951/1/012010 ◽

2021 ◽

Vol 1951 (1) ◽

pp. 012010

Author(s):

M R Ramadhan ◽

M Z Piliang

Keyword(s):

Density Functional Theory ◽

Electronic Properties ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Ni Doping ◽

Functional Theory ◽

Doping Effects ◽

Structural And Electronic Properties

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Structural and electronic properties of AlY (Y B, N, O) dual-doped twin graphene: A density functional theory study

Physica E Low-dimensional Systems and Nanostructures ◽

10.1016/j.physe.2021.114619 ◽

2021 ◽

Vol 128 ◽

pp. 114619

Author(s):

Bing-Yi Yu ◽

You Xie ◽

Xiu Wu ◽

Yue Gao ◽

Su-Fang Wang ◽

...

Keyword(s):

Density Functional Theory ◽

Electronic Properties ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Structural And Electronic Properties

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Understanding the Structural and Electronic Properties of Photoactive Tungsten Oxide Nanoparticles from Density Functional Theory and GW Approaches

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.1c00293 ◽

2021 ◽

Author(s):

Valentin Diez-Cabanes ◽

Ángel Morales-García ◽

Francesc Illas ◽

Mariachiara Pastore

Keyword(s):

Density Functional Theory ◽

Tungsten Oxide ◽

Electronic Properties ◽

Density Functional ◽

Oxide Nanoparticles ◽

Functional Theory ◽

Structural And Electronic Properties ◽

Tungsten Oxide Nanoparticles

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Structural and electronic properties of small Cun clusters using generalized-gradient approximations within density functional theory

The Journal of Chemical Physics ◽

10.1063/1.477313 ◽

1998 ◽

Vol 109 (16) ◽

pp. 6626-6630 ◽

Cited By ~ 67

Author(s):

Carlo Massobrio ◽

Alfredo Pasquarello ◽

Andrea Dal Corso

Keyword(s):

Density Functional Theory ◽

Electronic Properties ◽

Density Functional ◽

Generalized Gradient ◽

Functional Theory ◽

Structural And Electronic Properties

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Density-functional-theory calculations of structural and electronic properties of vacancies in monolayer hexagonal boron nitride (h-BN)

Computational Condensed Matter ◽

10.1016/j.cocom.2018.e00354 ◽

2019 ◽

Vol 18 ◽

pp. e00354 ◽

Cited By ~ 3

Author(s):

Wardah Amalia ◽

Pekik Nurwantoro ◽

Sholihun

Keyword(s):

Density Functional Theory ◽

Boron Nitride ◽

Electronic Properties ◽

Density Functional ◽

Hexagonal Boron Nitride ◽

Density Functional Theory Calculations ◽

Functional Theory ◽

Structural And Electronic Properties

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Density Functional Theory Study of Structural and Electronic Properties ofγ'-Ni3Al andγ"-Ni3Nb

IOP Conference Series Materials Science and Engineering ◽

10.1088/1757-899x/338/1/012041 ◽

2018 ◽

Vol 338 ◽

pp. 012041

Author(s):

D. K. Gorai ◽

T. K. Kundu

Keyword(s):

Density Functional Theory ◽

Electronic Properties ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Structural And Electronic Properties

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