Density functional theory study on the electronic structures and spectral properties of 3,5-Dimethylanisole dye sensitizer for solar cell applications

Results in Chemistry ◽

10.1016/j.rechem.2021.100164 ◽

2021 ◽

pp. 100164

Author(s):

Anuradha Mathiyalagan ◽

Karnan Manimaran ◽

Karunanidhi Muhu ◽

Meenakshi Rajakantham

Keyword(s):

Density Functional Theory ◽

Electronic Structures ◽

Spectral Properties ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

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Theoretical studies on the electronic structures and spectral properties of a series of bis-cyclometalated iridium(III) complexes using density functional theory

Journal of Luminescence ◽

10.1016/j.jlumin.2013.02.011 ◽

2013 ◽

Vol 138 ◽

pp. 223-228 ◽

Author(s):

Deming Han ◽

Gang Zhang ◽

Hongxing Cai ◽

Xihe Zhang ◽

Lihui Zhao

Keyword(s):

Density Functional Theory ◽

Electronic Structures ◽

Spectral Properties ◽

Density Functional ◽

Theoretical Studies ◽

Functional Theory

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A Rational Design for Dye Sensitizer: Density Functional Theory Study on the Electronic Absorption Spectra of Organoimido-Substituted Hexamolybdates

The Journal of Physical Chemistry C ◽

10.1021/jp3106452 ◽

2013 ◽

Vol 117 (5) ◽

pp. 2245-2251 ◽

Author(s):

Jing Wang ◽

Sha Cong ◽

Shizheng Wen ◽

Likai Yan ◽

Zhongmin Su

Keyword(s):

Density Functional Theory ◽

Absorption Spectra ◽

Electronic Absorption ◽

Density Functional ◽

Rational Design ◽

Electronic Absorption Spectra ◽

Density Functional Theory Study ◽

Functional Theory ◽

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A Density Functional Theory Study of Side Chains Effects on the Intermolecular Interactions and Electronic Structures of Small Molecular Acceptors for Organic Photovoltaics

Bulletin of the Korean Chemical Society ◽

10.1002/bkcs.10846 ◽

2016 ◽

Vol 37 (8) ◽

pp. 1244-1252 ◽

Author(s):

Eunji Ko ◽

Dongwook Kim

Keyword(s):

Density Functional Theory ◽

Intermolecular Interactions ◽

Organic Photovoltaics ◽

Electronic Structures ◽

Density Functional ◽

Side Chains ◽

Density Functional Theory Study ◽

Functional Theory

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Density functional theory study of adsorption geometries and electronic structures of azo-dye-based molecules on anatase TiO2 surface for dye-sensitized solar cell applications

Journal of Molecular Graphics and Modelling ◽

10.1016/j.jmgm.2017.06.002 ◽

2017 ◽

Vol 76 ◽

pp. 551-561 ◽

Author(s):

Pongthep Prajongtat ◽

Songwut Suramitr ◽

Somkiat Nokbin ◽

Koichi Nakajima ◽

Koichiro Mitsuke ◽

...

Keyword(s):

Density Functional Theory ◽

Electronic Structures ◽

Azo Dye ◽

Density Functional ◽

Anatase Tio2 ◽

Dye Sensitized Solar Cell ◽

Tio2 Surface ◽

Density Functional Theory Study ◽

Functional Theory ◽

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Hybrid density functional theory study of Cu(In1−xGax)Se2 band structure for solar cell application

AIP Advances ◽

10.1063/1.4893238 ◽

2014 ◽

Vol 4 (8) ◽

pp. 087118 ◽

Author(s):

Xu-Dong Chen ◽

Lin Chen ◽

Qing-Qing Sun ◽

Peng Zhou ◽

David Wei Zhang

Keyword(s):

Density Functional Theory ◽

Band Structure ◽

Density Functional ◽

Hybrid Density Functional Theory ◽

Density Functional Theory Study ◽

Functional Theory ◽

Solar Cell Application ◽

Hybrid Density Functional

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Hydrofluorination to C60 fullerene and its electronic structures in the gas phase using density functional theory study

Japanese Journal of Applied Physics ◽

10.7567/1347-4065/ab509a ◽

2019 ◽

Vol 58 (12) ◽

pp. 121001 ◽

Author(s):

Hiroshi Kawabata ◽

Hiroto Tachikawa

Keyword(s):

Density Functional Theory ◽

Gas Phase ◽

Electronic Structures ◽

Density Functional ◽

C60 Fullerene ◽

Density Functional Theory Study ◽

Functional Theory

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Density functional theory study of high-energy metal (Al, Mg, Ti, and Zr)/CuO composites

RSC Advances ◽

10.1039/c6ra18326c ◽

2016 ◽

Vol 6 (93) ◽

pp. 90206-90211 ◽

Author(s):

Guolin Xiong ◽

Chunhong Yang ◽

Weihua Zhu ◽

Heming Xiao

Keyword(s):

Density Functional Theory ◽

Electronic Structures ◽

Density Functional ◽

High Energy ◽

Density Functional Theory Study ◽

Functional Theory ◽

Metastable Intermolecular Composites ◽

We investigated the geometric and electronic structures and stability of high-energy metal metastable intermolecular composites (Al, Mg, Ti, and Zr)/CuO(111) between metal layers and a CuO(111) substrate by density functional theory.

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Density functional theory study on LBDOB and its derivatives: Electronic structures, energies, and molecular properties

Electrochimica Acta ◽

10.1016/j.electacta.2010.01.103 ◽

2010 ◽

Vol 55 (11) ◽

pp. 3838-3844 ◽

Author(s):

Zhao-Ming Xue ◽

Jia Ding ◽

Wei Zhou ◽

Chun-Hua Chen

Keyword(s):

Density Functional Theory ◽

Electronic Structures ◽

Density Functional ◽

Molecular Properties ◽

Density Functional Theory Study ◽

Functional Theory

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A density functional theory study of the CH2I2 reaction on Ag(111): Thermodynamics, kinetics, and electronic structures

The Journal of Chemical Physics ◽

10.1063/1.3292641 ◽

2010 ◽

Vol 132 (2) ◽

pp. 024715 ◽

Author(s):

Bo-Tao Teng ◽

Wei-Xin Huang ◽

Feng-Min Wu ◽

You-Zhao Lan ◽

Dong-Bo Cao

Keyword(s):

Density Functional Theory ◽

Electronic Structures ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Density functional theory study on ruthenium dyes and dye@TiO2 assemblies for dye sensitized solar cell applications

Solar Energy ◽

10.1016/j.solener.2017.10.058 ◽

2018 ◽

Vol 159 ◽

pp. 283-290 ◽

Author(s):

Ramesh Kumar Chitumalla ◽

Joonkyung Jang

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Dye Sensitized Solar Cell ◽

Density Functional Theory Study ◽

Functional Theory ◽

Dye Sensitized ◽

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