First‐principles investigation of structural, electronic, and optical properties of transition metal‐doped C40 CrSi 2

International Journal of Quantum Chemistry ◽

10.1002/qua.26401 ◽

2020 ◽

Vol 120 (22) ◽

Author(s):

Yong Pan

Keyword(s):

Optical Properties ◽

Transition Metal ◽

First Principles ◽

Electronic And Optical Properties ◽

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First-principles study of mechanical, electronic and optical properties of Janus structure in transition metal dichalcogenides

Applied Surface Science ◽

10.1016/j.apsusc.2020.146730 ◽

2020 ◽

Vol 526 ◽

pp. 146730 ◽

Author(s):

Vuong Van Thanh ◽

Nguyen Duy Van ◽

Do Van Truong ◽

Riichiro Saito ◽

Nguyen Tuan Hung

Keyword(s):

Optical Properties ◽

Transition Metal ◽

First Principles ◽

Transition Metal Dichalcogenides ◽

Electronic And Optical Properties ◽

First Principles Study ◽

Metal Dichalcogenides

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Electronic and optical properties of van der Waals vertical heterostructures based on two-dimensional transition metal dichalcogenides: First-principles calculations

Physics Letters A ◽

10.1016/j.physleta.2019.01.060 ◽

2019 ◽

Vol 383 (13) ◽

pp. 1487-1492 ◽

Author(s):

Kai Ren ◽

Minglei Sun ◽

Yi Luo ◽

Sake Wang ◽

Yujing Xu ◽

...

Keyword(s):

Optical Properties ◽

Transition Metal ◽

First Principles ◽

Van Der Waals ◽

Transition Metal Dichalcogenides ◽

Two Dimensional ◽

First Principles Calculations ◽

Electronic And Optical Properties ◽

Metal Dichalcogenides

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A DFT study of the structural, electronic and optical properties of transition metal doped fluorite oxides: Ce0.75M0.25O2 (M=Fe, Co, Ni)

Solid State Communications ◽

10.1016/j.ssc.2016.01.011 ◽

2016 ◽

Vol 231-232 ◽

pp. 68-79 ◽

Author(s):

Dong Tian ◽

Chunhua Zeng ◽

Yunchang Fu ◽

Hua Wang ◽

Hongchun Luo ◽

...

Keyword(s):

Optical Properties ◽

Transition Metal ◽

Dft Study ◽

Electronic And Optical Properties ◽

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Structural, electronic and optical properties of transition metal doped Hf1-xTMxO2 (TM = Co, Ni and Zn) using modified TB-mBJ potential for optoelectronic memristors devices

Optik ◽

10.1016/j.ijleo.2020.164677 ◽

2020 ◽

Vol 212 ◽

pp. 164677

Author(s):

Ejaz Ahmad Khera ◽

Hafeez Ullah ◽

Muhammad Imran ◽

N.A. Niaz ◽

Fayyaz Hussain ◽

...

Keyword(s):

Optical Properties ◽

Transition Metal ◽

Electronic And Optical Properties ◽

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Theoretical investigation of electronic and optical properties of 2D transition metal dichalcogenides MoX2 (X = S, Se, Te) from first-principles

Physica E Low-dimensional Systems and Nanostructures ◽

10.1016/j.physe.2020.114416 ◽

2021 ◽

Vol 126 ◽

pp. 114416

Author(s):

Razieh Beiranvand

Keyword(s):

Optical Properties ◽

Transition Metal ◽

Theoretical Investigation ◽

First Principles ◽

Transition Metal Dichalcogenides ◽

Electronic And Optical Properties ◽

Metal Dichalcogenides

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The magnetic and optical properties of 3d transition metal doped SnO2 nanosheets

RSC Advances ◽

10.1039/c5ra00788g ◽

2015 ◽

Vol 5 (31) ◽

pp. 24306-24312 ◽

Author(s):

Yong Feng ◽

Wei-Xiao Ji ◽

Bao-Jun Huang ◽

Xin-lian Chen ◽

Feng Li ◽

...

Keyword(s):

Magnetic Properties ◽

Optical Properties ◽

Electronic Structure ◽

Transition Metal ◽

First Principles ◽

Transition Metal Atom ◽

First Principles Calculations ◽

Based on first-principles calculations, we study the electronic structure, magnetic properties and optical properties of transition metal atom doped SnO2NSs.

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Influence of transition metal doping on the electronic and optical properties of ReS2 and ReSe2 monolayers

Physical Chemistry Chemical Physics ◽

10.1039/c7cp03455e ◽

2017 ◽

Vol 19 (29) ◽

pp. 19050-19057 ◽

Author(s):

Kingsley Onyebuchi Obodo ◽

Cecil Napthaly Moro Ouma ◽

Joshua Tobechukwu Obodo ◽

Moritz Braun

Keyword(s):

Optical Properties ◽

Transition Metal ◽

Quantum Mechanical ◽

Transition Metal Doping ◽

Quantum Mechanical Calculations ◽

Metal Doping ◽

Electronic And Optical Properties ◽

We investigate the structural, electronic and optical properties of transition metal doped triclinic monolayered rhenium disulfide and diselenide (ReS2 and ReSe2) by means of quantum mechanical calculations.

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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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Adjustable electronic and optical properties of BlueP/MoS2 van der Waals heterostructure by external strain: a first-principles study

Nanotechnology ◽

10.1088/1361-6528/ab978b ◽

2020 ◽

Vol 31 (37) ◽

pp. 375706 ◽

Author(s):

Fei Yang ◽

Junnan Han ◽

Le Zhang ◽

Xianhong Tang ◽

Zhenguo Zhuo ◽

...

Keyword(s):

Optical Properties ◽

First Principles ◽

Van Der Waals ◽

Electronic And Optical Properties ◽

First Principles Study ◽

Van Der Waals Heterostructure ◽

External Strain

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First-principles calculation of the structural, electronic and optical properties of GaSe_(1-x) S_(x) (x = 0, 0.25, 0.5 and 1) compounds

Advances in Materials and Processing Technologies ◽

10.1080/2374068x.2021.1939991 ◽

2021 ◽

pp. 1-13

Author(s):

Mohamed Al-Hattab ◽

L’Houcine Moudou ◽

younes Chrafih ◽

Khalid Rahmani ◽

Mohammed Khenfouch ◽

...

Keyword(s):

Optical Properties ◽

First Principles ◽

First Principles Calculation ◽

Electronic And Optical Properties

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