Energetic, Optical, and Electronic Properties of Intrinsic Electron-Trapping Defects in YAlO3: A Hybrid DFT Study

DFT calculations were used to evaluate the effect of side groups on the structural, optical and electronic properties of 3-substituted PPy derivatives. Simple relationships between the optoelectronic properties and Hammet parameters are proposed.

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Optical and electronic properties of zigzag boron nitride nanotube (6,0): DFT study

International Nano Letters ◽

10.1007/s40089-020-00314-w ◽

2020 ◽

Vol 10 (4) ◽

pp. 293-301

Author(s):

Mina Sotudeh ◽

Arash Boochani ◽

Sara Sadat Parhizgar ◽

Seyedeh Razieh Masharian

Keyword(s):

Boron Nitride ◽

Electronic Properties ◽

Dft Study ◽

Boron Nitride Nanotube ◽

Optical And Electronic Properties

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Effect of halogenation on the optical and electronic properties of tetrathienoanthracene and tetrathionoacridine derivatives: A DFT study

Computational Condensed Matter ◽

10.1016/j.cocom.2020.e00528 ◽

2021 ◽

Vol 26 ◽

pp. e00528

Author(s):

Koussai Lazaar ◽

Moncef Said ◽

Michael Badawi ◽

Sébastien Lebègue ◽

Saber Gueddida

Keyword(s):

Electronic Properties ◽

Dft Study ◽

Optical And Electronic Properties

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Non-collinear spin DFT study of the ground state magnetic structure, optical and electronic properties of the hexagonal LuFeO3 multiferroic

Journal of Alloys and Compounds ◽

10.1016/j.jallcom.2019.152227 ◽

2020 ◽

Vol 813 ◽

pp. 152227 ◽

Cited By ~ 1

Author(s):

A.T. Melo ◽

D.M.S. Brito ◽

A.F. Lima ◽

M.V. Lalic

Keyword(s):

Electronic Properties ◽

Magnetic Structure ◽

Ground State ◽

Dft Study ◽

Optical And Electronic Properties

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Influence of the Ba-Doping to Improvement of Ferroelectric, Optical and Electronic Properties of Wurtzite-ZnO Material: A DFT Study

Current Physical Chemistry ◽

10.2174/187794680601160324121446 ◽

2016 ◽

Vol 6 (1) ◽

pp. 53-59 ◽

Cited By ~ 3

Author(s):

Luis H. da Silveira Lacerda ◽

Sérgio R. de Lázaro ◽

Alexandre Camilo

Keyword(s):

Electronic Properties ◽

Dft Study ◽

Optical And Electronic Properties

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DFT study on the structural, optical and electronic properties of platinum group doped graphene

Materials Today Communications ◽

10.1016/j.mtcomm.2020.101755 ◽

2020 ◽

pp. 101755

Author(s):

Suraj Kumar ◽

Shisak Sharma ◽

Rituparna Karmaker ◽

Dipak Sinha

Keyword(s):

Electronic Properties ◽

Dft Study ◽

Optical And Electronic Properties ◽

Doped Graphene ◽

Platinum Group

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Effects of external electric field on the optical and electronic properties of blue phosphorene nanoribbons: A DFT study

Computational Materials Science ◽

10.1016/j.commatsci.2017.03.048 ◽

2017 ◽

Vol 135 ◽

pp. 43-53 ◽

Cited By ~ 13

Author(s):

D.A. Ospina ◽

C.A. Duque ◽

M.E. Mora-Ramos ◽

J.D. Correa

Keyword(s):

Electric Field ◽

Electronic Properties ◽

External Electric Field ◽

Dft Study ◽

Optical And Electronic Properties ◽

Blue Phosphorene

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DFT and TD-DFT study on the optical and electronic properties of derivatives of 1,4-bis(2-substituted-1,3,4-oxadiazole)benzene

Arabian Journal of Chemistry ◽

10.1016/j.arabjc.2013.11.037 ◽

2017 ◽

Vol 10 ◽

pp. S2988-S2993 ◽

Cited By ~ 17

Author(s):

Fuyu Sun ◽

Ruifa Jin

Keyword(s):

Electronic Properties ◽

Dft Study ◽

Optical And Electronic Properties ◽

Td Dft ◽

Derivatives Of

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DFT study of the effect of hidrocarbonated chains on the electronic properties of some oligothiophene derivatives

10.3390/ecsoc-13-00147 ◽

2009 ◽

Author(s):

Manuel Fernández-Gómez ◽

Amparo Navarro ◽

MªPaz Fernández-Liencres ◽

Mónica Moral ◽

José Manuel Granadino-Roldán ◽

...

Keyword(s):

Electronic Properties ◽

Dft Study

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