Electronic and Optical Properties of Hydrogen-Terminated Diamond Doped by Molybdenum Oxide: A Density Functional Theory Study

2020 International Conference on Numerical Simulation of Optoelectronic Devices (NUSOD) ◽

10.1109/nusod49422.2020.9217662 ◽

2020 ◽

Author(s):

Joseph McGhee ◽

Vihar P. Georgiev

Keyword(s):

Density Functional Theory ◽

Optical Properties ◽

Molybdenum Oxide ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic And Optical Properties

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Density functional theory study of structural, electronic and optical properties of cobalt-doped BaSnO3

Materials Science in Semiconductor Processing ◽

10.1016/j.mssp.2021.106220 ◽

2022 ◽

Vol 137 ◽

pp. 106220

Author(s):

S. Chahib ◽

D. Fasquelle ◽

G. Leroy

Keyword(s):

Density Functional Theory ◽

Optical Properties ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic And Optical Properties

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Density functional theory study of electronic and optical properties of ScN nitride in NaCl-B1, CsCl-B2, ZB-B3 and NiAs-B8 phases

Bulletin of Materials Science ◽

10.1007/s12034-021-02601-4 ◽

2022 ◽

Vol 45 (1) ◽

Author(s):

Bhila Oliver Mnisi

Keyword(s):

Density Functional Theory ◽

Optical Properties ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic And Optical Properties

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A density functional theory study of structural, electronic and optical properties of 9-atom silver‒copper clusters

Materials Today Communications ◽

10.1016/j.mtcomm.2020.101248 ◽

2020 ◽

Vol 25 ◽

pp. 101248

Author(s):

Weiyin Li ◽

Lingling Ding ◽

Kai Wang ◽

Wenjing Wang ◽

Sha Zhang

Keyword(s):

Density Functional Theory ◽

Optical Properties ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic And Optical Properties ◽

Copper Clusters ◽

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Density functional theory study of the electronic and optical properties of Si incorporated SnO2

AIP Advances ◽

10.1063/1.5124076 ◽

2019 ◽

Vol 9 (11) ◽

pp. 115104

Author(s):

Honglong Ning ◽

Xianzhe Liu ◽

Haiguang Ruan ◽

Cheng Peng ◽

Fuxiang Huang ◽

...

Keyword(s):

Density Functional Theory ◽

Optical Properties ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic And Optical Properties

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Comparative density functional theory study on the electronic and optical properties of BiMO4 (M = V, Nb, Ta)

Journal of Materials Chemistry A ◽

10.1039/c3ta15367c ◽

2014 ◽

Vol 2 (22) ◽

pp. 8294 ◽

Author(s):

Kaining Ding ◽

Bin Chen ◽

Yulu Li ◽

Yongfan Zhang ◽

Zhongfang Chen

Keyword(s):

Density Functional Theory ◽

Optical Properties ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic And Optical Properties

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Geometric, electronic, and optical properties of a boron-doped aluminum cluster of B2Al21-: A density functional theory study

Chemical Physics Letters ◽

10.1016/j.cplett.2013.07.034 ◽

2013 ◽

Vol 582 ◽

pp. 100-104 ◽

Author(s):

Takeshi Iwasa ◽

Atsushi Nakajima

Keyword(s):

Density Functional Theory ◽

Optical Properties ◽

Density Functional ◽

Density Functional Theory Study ◽

Aluminum Cluster ◽

Functional Theory ◽

Electronic And Optical Properties ◽

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Influence of alkali metal superoxides on structure, electronic, and optical properties of Be 12 O 12 nanocage: Density functional theory study

Chinese Physics B ◽

10.1088/1674-1056/25/9/094220 ◽

2016 ◽

Vol 25 (9) ◽

pp. 094220 ◽

Author(s):

Ali Raoof Toosi ◽

Hamid Reza Shamlouei ◽

Asghar Mohammadi Hesari

Keyword(s):

Density Functional Theory ◽

Optical Properties ◽

Alkali Metal ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic And Optical Properties

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Electronic and optical properties of pyrrole and thiophene oligomers: A density functional theory study

International Journal of Quantum Chemistry ◽

10.1002/qua.25453 ◽

2017 ◽

Vol 117 (24) ◽

pp. e25453 ◽

Author(s):

Juan Chen ◽

Xingfeng Zhu ◽

Chenglin Luo ◽

Yafei Dai

Keyword(s):

Density Functional Theory ◽

Optical Properties ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic And Optical Properties

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Electronic and optical properties of borophene and graphene with an adsorbed ionic liquid: A density functional theory study

Journal of Molecular Liquids ◽

10.1016/j.molliq.2020.113803 ◽

2020 ◽

Vol 316 ◽

pp. 113803

Author(s):

Kazem Zhour ◽

José M. Otero-Mato ◽

Fouad El Haj Hassan ◽

Hussein Fahs ◽

Majid Vaezzadeh ◽

...

Keyword(s):

Density Functional Theory ◽

Ionic Liquid ◽

Optical Properties ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic And Optical Properties

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The mechanical, electronic and optical properties of KH under high pressure: a density functional theory study

Materials Research Express ◽

10.1088/2053-1591/aa5f1b ◽

2017 ◽

Vol 4 (3) ◽

pp. 036201 ◽

Author(s):

An Xinyou ◽

Geng Feng ◽

Ren Weiyi ◽

Yang Hui ◽

He Ziqi ◽

...

Keyword(s):

Density Functional Theory ◽

High Pressure ◽

Optical Properties ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic And Optical Properties

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