Effect of oxygen vacancies on the electronic and optical properties of tungsten oxide from first principles calculations

Faisal Mehmood; Ruth Pachter; Neil R. Murphy; Walter E. Johnson; Chintalapalle V. Ramana

doi:10.1063/1.4972038

Effect of oxygen vacancies on the electronic and optical properties of tungsten oxide from first principles calculations

Journal of Applied Physics ◽

10.1063/1.4972038 ◽

2016 ◽

Vol 120 (23) ◽

pp. 233105 ◽

Cited By ~ 19

Author(s):

Faisal Mehmood ◽

Ruth Pachter ◽

Neil R. Murphy ◽

Walter E. Johnson ◽

Chintalapalle V. Ramana

Keyword(s):

Optical Properties ◽

Tungsten Oxide ◽

First Principles ◽

Oxygen Vacancies ◽

First Principles Calculations ◽

Electronic And Optical Properties ◽

Effect Of Oxygen

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Influence of Oxygen Vacancies on the Electronic and Optical Properties of Zirconium Dioxide from First-Principles Calculations

Journal of Electronic Materials ◽

10.1007/s11664-019-07325-0 ◽

2019 ◽

Vol 48 (8) ◽

pp. 5154-5160 ◽

Cited By ~ 23

Author(s):

Yong Pan

Keyword(s):

Optical Properties ◽

First Principles ◽

Zirconium Dioxide ◽

Oxygen Vacancies ◽

First Principles Calculations ◽

Electronic And Optical Properties

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The effect of oxygen vacancies on the stability, electronic and optical properties of the ZnAl2O4(100) surface; A first-principles study

Surface Science ◽

10.1016/j.susc.2017.12.006 ◽

2018 ◽

Vol 669 ◽

pp. 189-197 ◽

Cited By ~ 7

Author(s):

M.A. Lahmer

Keyword(s):

Optical Properties ◽

First Principles ◽

Oxygen Vacancies ◽

Electronic And Optical Properties ◽

First Principles Study ◽

The Stability ◽

Effect Of Oxygen

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The electronic and optical properties of Au decorated(1 01¯4) dolomite surface: A first principles calculations

Results in Physics ◽

10.1016/j.rinp.2021.103827 ◽

2021 ◽

Vol 21 ◽

pp. 103827

Author(s):

Jianrong Wang ◽

Weibin Zhang ◽

Qingfeng Wu ◽

Shufang Gao ◽

Yuanyuan Jin ◽

...

Keyword(s):

Optical Properties ◽

First Principles ◽

First Principles Calculations ◽

Electronic And Optical Properties

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First-principles study on structural, electronic and optical properties of perovskite solid solutions KB1−xMgxI3 (B = Ge, Sn) toward water splitting photocatalysis

RSC Advances ◽

10.1039/d1ra04534b ◽

2021 ◽

Vol 11 (42) ◽

pp. 26432-26443

Author(s):

Chol-Hyok Ri ◽

Yun-Sim Kim ◽

Un-Gi Jong ◽

Yun-Hyok Kye ◽

Se-Hun Ryang ◽

...

Keyword(s):

Optical Properties ◽

Water Splitting ◽

Potassium Iodide ◽

Solid Solutions ◽

First Principles ◽

Lead Free ◽

First Principles Calculations ◽

Electronic And Optical Properties ◽

First Principles Study

We propose lead-free potassium iodide perovskite solid solutions KBI3 with B-site mixing between Ge/Sn and Mg as potential candidates for photocatalysts based on systematic first-principles calculations.

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First-principles calculations to investigate the electronic and optical properties of (MoS2)4-n/(MoSSe)n lateral heterostructure

Journal of Physics and Chemistry of Solids ◽

10.1016/j.jpcs.2021.110049 ◽

2021 ◽

Vol 154 ◽

pp. 110049

Author(s):

Nsajigwa Mwankemwa ◽

Shanjun Chen ◽

Shufang Gao ◽

Yi Xiao ◽

Weibin Zhang ◽

...

Keyword(s):

Optical Properties ◽

First Principles ◽

First Principles Calculations ◽

Electronic And Optical Properties ◽

Lateral Heterostructure

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First-principles calculations of the electronic and optical properties of $$\text {WSe}_2/\text {Cd}_{0.9}\text {Zn}_{0.1}\text {Te}$$ van der Waals heterostructure

Journal of Computational Electronics ◽

10.1007/s10825-021-01659-x ◽

2021 ◽

Author(s):

Anurag Chauhan ◽

Ankit Maahich ◽

Jatin Pal

Keyword(s):

Optical Properties ◽

First Principles ◽

Van Der Waals ◽

First Principles Calculations ◽

Electronic And Optical Properties ◽

Van Der Waals Heterostructure

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First-principles calculations to investigate structural, elastic, electronic and optical properties of lead-free perovskite derivatives Cs2SeX6 (X=Cl, Br, I)

Optical Materials ◽

10.1016/j.optmat.2021.111316 ◽

2021 ◽

Vol 119 ◽

pp. 111316

Author(s):

De-Yuan Hu ◽

Xian-Hao Zhao ◽

Tian-Yu Tang ◽

Li Li ◽

Li-Ke Gao ◽

...

Keyword(s):

Optical Properties ◽

First Principles ◽

Lead Free ◽

First Principles Calculations ◽

Electronic And Optical Properties

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First-principles calculations of structural, electronic and optical properties of CdxZn1−xS alloys

Journal of Alloys and Compounds ◽

10.1016/j.jallcom.2010.07.197 ◽

2010 ◽

Vol 507 (2) ◽

pp. 356-363 ◽

Cited By ~ 64

Author(s):

N.A. Noor ◽

N. Ikram ◽

S. Ali ◽

S. Nazir ◽

S.M. Alay-e-Abbas ◽

...

Keyword(s):

Optical Properties ◽

First Principles ◽

First Principles Calculations ◽

Electronic And Optical Properties

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First-principles calculations of structural, electronic and optical properties of ZnGa2O4: Cr3+ system

Journal of Alloys and Compounds ◽

10.1016/j.jallcom.2021.161862 ◽

2021 ◽

pp. 161862

Author(s):

YAN Yu-xing ◽

ZHENG Shuai ◽

XIONG Lin-qiang ◽

WANG Fan ◽

CHENG Jun ◽

...

Keyword(s):

Optical Properties ◽

First Principles ◽

First Principles Calculations ◽

Electronic And Optical Properties

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First-principles calculations of the structural, elastic, electronic and optical properties of Si2P2O and Ge2P2O at high pressures

Chinese Journal of Physics ◽

10.1016/j.cjph.2018.06.028 ◽

2018 ◽

Vol 56 (5) ◽

pp. 2297-2307

Author(s):

Ruike Yang ◽

Bao Chai ◽

Qun Wei ◽

Dongyun Zhang

Keyword(s):

Optical Properties ◽

First Principles ◽

High Pressures ◽

First Principles Calculations ◽

Electronic And Optical Properties

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