Designing of DAD Type Small Semiconductor Molecules andInvestigation of Substituent Effect on Their Molecular, Electronic and Optical Properties: A DFT Study**

ChemistrySelect ◽

10.1002/slct.202103353 ◽

2021 ◽

Vol 6 (40) ◽

pp. 10793-10801

Author(s):

Pinar Seyitdanlioglu Sirin ◽

Naime Didem Kahya ◽

Canan Unaleroglu

Keyword(s):

Optical Properties ◽

Substituent Effect ◽

Dft Study ◽

Molecular Electronic ◽

Electronic And Optical Properties

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Electronic and Optical Properties of CsSnI3−yCly (y = 0, 1, 2, 3) Perovskites: a DFT Study

Journal of Electronic Materials ◽

10.1007/s11664-018-06850-8 ◽

2018 ◽

Vol 48 (2) ◽

pp. 1243-1251 ◽

Author(s):

R. Padmavathy ◽

A. Amudhavalli ◽

M. Manikandan ◽

R. Rajeswarapalanichamy ◽

K. Iyakutti ◽

...

Keyword(s):

Optical Properties ◽

Dft Study ◽

Electronic And Optical Properties

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Structural, electronic and optical properties of copper-doped SrTiO3 perovskite: A DFT study

Physica B Condensed Matter ◽

10.1016/j.physb.2018.09.022 ◽

2019 ◽

Vol 552 ◽

pp. 52-57 ◽

Author(s):

Muhammad Rizwan ◽

Adnan Ali ◽

Zahid Usman ◽

N.R. Khalid ◽

H.B. Jin ◽

...

Keyword(s):

Optical Properties ◽

Dft Study ◽

Electronic And Optical Properties

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DFT study on the controllable electronic and optical properties of GaSb/InAs heterostructure

Journal of Materials Research ◽

10.1557/s43578-021-00116-6 ◽

2021 ◽

Author(s):

Xiao Zhang ◽

Minjie Yang ◽

Li Chen ◽

Xiaolong Zhou

Keyword(s):

Optical Properties ◽

Dft Study ◽

Electronic And Optical Properties

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DFT Study of Structural, Electronic and Optical Properties of ZnS Phases

2018 6th International Renewable and Sustainable Energy Conference (IRSEC) ◽

10.1109/irsec.2018.8702895 ◽

2018 ◽

Author(s):

Adil Es-Smairi ◽

Nejma Fazouan ◽

Ibrahim Bziz ◽

El Houssine Atmani

Keyword(s):

Optical Properties ◽

Dft Study ◽

Electronic And Optical Properties

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DFT study of the electronic and optical properties of ternary chalcogenides AlX2Te4

Materials Research Express ◽

10.1088/2053-1591/ab4b81 ◽

2019 ◽

Vol 6 (11) ◽

pp. 116314 ◽

Author(s):

Sikander Azam ◽

Muhammad Irfan ◽

Zeesham Abbas ◽

Malika Rani ◽

Tahira Saleem ◽

...

Keyword(s):

Optical Properties ◽

Dft Study ◽

Electronic And Optical Properties

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Structural, electronic and optical properties of graphene-like nano-layers MoX2(X:S,Se,Te): DFT study

Journal of Theoretical and Applied Physics ◽

10.1007/s40094-019-0333-4 ◽

2019 ◽

Vol 13 (3) ◽

pp. 191-201 ◽

Author(s):

F. Lahourpour ◽

A. Boochani ◽

S. S. Parhizgar ◽

S. M. Elahi

Keyword(s):

Optical Properties ◽

Dft Study ◽

Electronic And Optical Properties

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Corrigendum to “Electronic and optical properties of Zn-doped InGaAs emission layer with vacancy defects: A DFT study” [Optik 143 (2017) 135–141]

Optik ◽

10.1016/j.ijleo.2018.06.149 ◽

2019 ◽

Vol 179 ◽

pp. 1196

Author(s):

Jing Guo ◽

Minhua Zhou ◽

Jing Zhao ◽

Lei Zhou ◽

Liansong Xiong

Keyword(s):

Optical Properties ◽

Dft Study ◽

Emission Layer ◽

Vacancy Defects ◽

Electronic And Optical Properties

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The modulation of electronic and optical properties of OXD-X through introduction of the electron-withdrawing groups: A DFT study

Journal of Molecular Graphics and Modelling ◽

10.1016/j.jmgm.2009.10.002 ◽

2010 ◽

Vol 28 (5) ◽

pp. 427-434 ◽

Author(s):

L.L. Liu ◽

X.M. Pan ◽

W. Zheng ◽

L.L. Cui ◽

G.C. Yang ◽

...

Keyword(s):

Optical Properties ◽

Dft Study ◽

Electronic And Optical Properties

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Structural, elastic, electronic and optical properties of KAl Q 2 ( Q = Se, Te): A DFT study

Solid State Sciences ◽

10.1016/j.solidstatesciences.2015.07.006 ◽

2015 ◽

Vol 48 ◽

pp. 72-81 ◽

Author(s):

A. Benmakhlouf ◽

A. Bentabet ◽

A. Bouhemadou ◽

S. Maabed ◽

R. Khenata ◽

...

Keyword(s):

Optical Properties ◽

Dft Study ◽

Electronic And Optical Properties

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Electronic, optical and photocatalytic properties of three-layer perovskite Dion–Jacobson phase CsBa2M3O10(M = Ta, Nb): a DFT study

RSC Advances ◽

10.1039/c5ra13763b ◽

2015 ◽

Vol 5 (108) ◽

pp. 88725-88735 ◽

Author(s):

Ehsan Zahedi ◽

Mirabbos Hojamberdiev ◽

Maged F. Bekheet

Keyword(s):

Optical Properties ◽

Uv Light ◽

Dft Study ◽

Photocatalytic Properties ◽

Electronic And Optical Properties

This work discloses structural, electronic and optical properties of three-layer perovskite Dion–Jacobson phase CsBa2M3O10(M = Ta, Nb) using the DFT method. These semiconductors are UV-light-responsive photocatalysts.

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