First principles calculations of electronic and optical properties of Mo and C co-doped anatase TiO2

Applied Physics A ◽

10.1007/s00339-014-8433-0 ◽

2014 ◽

Vol 117 (2) ◽

pp. 831-839 ◽

Author(s):

H. X. Zhu ◽

J.-M. Liu

Keyword(s):

Optical Properties ◽

First Principles ◽

Anatase Tio2 ◽

First Principles Calculations ◽

Electronic And Optical Properties ◽

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Electronic and optical properties of mono and co-doped anatase TiO2: First principles calculations

Materials Chemistry and Physics ◽

10.1016/j.matchemphys.2020.123285 ◽

2020 ◽

Vol 252 ◽

pp. 123285

Author(s):

Hanan H. Ibrahim ◽

Adel A. Mohamed ◽

Ismail A.M. Ibrahim

Keyword(s):

Optical Properties ◽

First Principles ◽

Anatase Tio2 ◽

First Principles Calculations ◽

Electronic And Optical Properties ◽

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Electronic and optical properties of Zr, N mono-doped and co-doped anatase TiO2: first-principles calculations

Materials Research Express ◽

10.1088/2053-1591/aa70c2 ◽

2017 ◽

Vol 4 (6) ◽

pp. 065009

Author(s):

Kui Ying Nie ◽

Zong Hua Hu

Keyword(s):

Optical Properties ◽

First Principles ◽

Anatase Tio2 ◽

First Principles Calculations ◽

Electronic And Optical Properties ◽

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First principles calculations of magnetic, electronic and optical properties of (Mn–Fe) co-doped SrTiO3

Optik ◽

10.1016/j.ijleo.2015.12.028 ◽

2016 ◽

Vol 127 (5) ◽

pp. 3055-3058 ◽

Author(s):

T. Shen ◽

C. Hu ◽

H.L. Dai ◽

W.L. Yang ◽

H.C. Liu ◽

...

Keyword(s):

Optical Properties ◽

First Principles ◽

First Principles Calculations ◽

Electronic And Optical Properties ◽

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Tuning the electronic and optical properties of phosphorene by transition-metal and nonmetallic atom co-doping

RSC Advances ◽

10.1039/c5ra22004a ◽

2016 ◽

Vol 6 (13) ◽

pp. 10919-10929 ◽

Author(s):

Long-Juan Kong ◽

Guang-Hua Liu ◽

Yu-Jun Zhang

Keyword(s):

Density Functional Theory ◽

Optical Properties ◽

Transition Metal ◽

First Principles ◽

Density Functional ◽

First Principles Calculations ◽

Functional Theory ◽

Electronic And Optical Properties ◽

Co Doping ◽

The electronic and optical properties of phosphorene co-doped with vanadium and non-metallic atoms (B, C, N and O) are investigated by employing first-principles calculations based on density functional theory.

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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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Electronic and Optical Properties of BeO Co-doped 2D GaN using First-principles

2020 11th International Conference on Electrical and Computer Engineering (ICECE) ◽

10.1109/icece51571.2020.9393143 ◽

2020 ◽

Author(s):

Sakib Hasan Khan ◽

Rafiqul Islam ◽

Tanvir Hasan

Keyword(s):

Optical Properties ◽

First Principles ◽

Electronic And Optical Properties ◽

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