Hybrid functionals studies of structural and electronic properties of ZnxCd(1−x)S and (ZnxCd1−x)(SexS1−x) solid solution photocatalysts

Jin-Dou Huang; Jian-Yong Liu; Ke-Li Han

doi:10.1016/j.ijhydene.2012.09.003

Hybrid functionals studies of structural and electronic properties of ZnxCd(1−x)S and (ZnxCd1−x)(SexS1−x) solid solution photocatalysts

International Journal of Hydrogen Energy ◽

10.1016/j.ijhydene.2012.09.003 ◽

2012 ◽

Vol 37 (23) ◽

pp. 17870-17881 ◽

Cited By ~ 22

Author(s):

Jin-Dou Huang ◽

Jian-Yong Liu ◽

Ke-Li Han

Keyword(s):

Solid Solution ◽

Electronic Properties ◽

Structural And Electronic Properties ◽

Hybrid Functionals

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Structural and electronic properties of Mg, Zn, and Cd from Hartree-Fock and density functional calculations including hybrid functionals

Physical Review B ◽

10.1103/physrevb.75.205123 ◽

2007 ◽

Vol 75 (20) ◽

Cited By ~ 28

Author(s):

Ulrich Wedig ◽

Martin Jansen ◽

Beate Paulus ◽

Krzysztof Rosciszewski ◽

Priya Sony

Keyword(s):

Electronic Properties ◽

Density Functional Calculations ◽

Density Functional ◽

Hartree Fock ◽

Structural And Electronic Properties ◽

Hybrid Functionals

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Structural and Electronic Properties of a Wide-Gap Quaternary Solid Solution: \(Zn, Mg\) \(S, Se\)

Physical Review Letters ◽

10.1103/physrevlett.80.4939 ◽

1998 ◽

Vol 80 (22) ◽

pp. 4939-4942 ◽

Cited By ~ 37

Author(s):

A. M. Saitta ◽

S. de Gironcoli ◽

S. Baroni

Keyword(s):

Solid Solution ◽

Electronic Properties ◽

Quaternary Solid Solution ◽

Structural And Electronic Properties ◽

Wide Gap

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Comparative study of hybrid functionals applied to structural and electronic properties of semiconductors and insulators

Physical Review B ◽

10.1103/physrevb.84.075205 ◽

2011 ◽

Vol 84 (7) ◽

Cited By ~ 51

Author(s):

Yu-ichiro Matsushita ◽

Kazuma Nakamura ◽

Atsushi Oshiyama

Keyword(s):

Comparative Study ◽

Electronic Properties ◽

Structural And Electronic Properties ◽

Hybrid Functionals

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First-Principles Studies of the Structural and Electronic Properties of the (Ga1-xZnx)(N1-xOx) Solid Solution Photocatalyst

The Journal of Physical Chemistry C ◽

10.1021/jp073554y ◽

2008 ◽

Vol 112 (9) ◽

pp. 3439-3446 ◽

Cited By ~ 99

Author(s):

Lin Lin Jensen ◽

James T. Muckerman ◽

Marshall D. Newton

Keyword(s):

Solid Solution ◽

Electronic Properties ◽

First Principles ◽

Structural And Electronic Properties

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A DFT STUDY ON THE STRUCTURAL AND ELECTRONIC PROPERTIES OF SMALL TOXIC GASES ON B- AND Al-DOPED C20 FULLERENE

Журнал структурной химии ◽

10.15372/jsc20170403 ◽

2017 ◽

Keyword(s):

Electronic Properties ◽

Dft Study ◽

Toxic Gases ◽

C20 Fullerene ◽

Structural And Electronic Properties

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Structural and electronic properties of nanocrystalline silicon thin film solar cells fabricated by hot wire and ECR-plasma CVD techniques

10.31274/rtd-180813-16736 ◽

2007 ◽

Author(s):

Kamal Kumar Muthukrishnan

Keyword(s):

Thin Film ◽

Solar Cells ◽

Electronic Properties ◽

Nanocrystalline Silicon ◽

Thin Film Solar Cells ◽

Hot Wire ◽

Plasma Cvd ◽

Silicon Thin Film ◽

Ecr Plasma ◽

Structural And Electronic Properties

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Structural and electronic properties of ZnMgO/ZnO quantum wells

Superlattices and Microstructures ◽

10.1016/j.spmi.2005.08.055 ◽

2005 ◽

Vol 38 (4-6) ◽

pp. 455-463 ◽

Cited By ~ 32

Author(s):

C. Morhain ◽

X. Tang ◽

M. Teisseire-Doninelli ◽

B. Lo ◽

M. Laügt ◽

...

Keyword(s):

Quantum Wells ◽

Electronic Properties ◽

Structural And Electronic Properties

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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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A DFT Study of Structural and Electronic Properties of ZnS Polymorphs and its Pressure-Induced Phase Transitions

Journal of the American Ceramic Society ◽

10.1111/jace.13191 ◽

2014 ◽

Vol 97 (12) ◽

pp. 4011-4018 ◽

Cited By ~ 27

Author(s):

Felipe A. La Porta ◽

Lourdes Gracia ◽

Juan Andrés ◽

Júlio R. Sambrano ◽

Jose A. Varela ◽

...

Keyword(s):

Phase Transitions ◽

Electronic Properties ◽

Dft Study ◽

Structural And Electronic Properties

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