First-Principles Modeling of the Adsorption Geometry and Electronic Structure of Ru(II) Dyes on Extended TiO2 Substrates for Dye-Sensitized Solar Cell Applications

Filippo De Angelis; Simona Fantacci; Annabella Selloni; Mohammad K. Nazeeruddin; Michael Grätzel

doi:10.1021/jp911663k

First-Principles Modeling of the Adsorption Geometry and Electronic Structure of Ru(II) Dyes on Extended TiO2 Substrates for Dye-Sensitized Solar Cell Applications

The Journal of Physical Chemistry C ◽

10.1021/jp911663k ◽

2010 ◽

Vol 114 (13) ◽

pp. 6054-6061 ◽

Cited By ~ 177

Author(s):

Filippo De Angelis ◽

Simona Fantacci ◽

Annabella Selloni ◽

Mohammad K. Nazeeruddin ◽

Michael Grätzel

Keyword(s):

Electronic Structure ◽

Solar Cell ◽

First Principles ◽

Dye Sensitized Solar Cell ◽

Dye Sensitized ◽

Adsorption Geometry

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First principles study of the influence of metallic-doping on crystalline ZnS: From efficiency aspects for use in a ZnS based dye sensitized solar cell (DSSC)

Integrated Ferroelectrics ◽

10.1080/10584587.2018.1514862 ◽

2018 ◽

Vol 194 (1) ◽

pp. 96-103

Author(s):

Manas Sharma ◽

Sameer Gupta ◽

Sanoj Prasad ◽

Prashant K. Bharatiya ◽

Debabrata Mishra

Keyword(s):

Solar Cell ◽

First Principles ◽

Dye Sensitized Solar Cell ◽

Dye Sensitized ◽

First Principles Study

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Influences of metallic doping on anatase crystalline titanium dioxide: From electronic structure aspects to efficiency of TiO2-based dye sensitized solar cell (DSSC)

Materials Chemistry and Physics ◽

10.1016/j.matchemphys.2013.12.025 ◽

2014 ◽

Vol 144 (1-2) ◽

pp. 114-121 ◽

Cited By ~ 14

Author(s):

Thuy Trang Nguyen ◽

Van Nam Tran ◽

Thanh Cong Bach

Keyword(s):

Titanium Dioxide ◽

Electronic Structure ◽

Solar Cell ◽

Dye Sensitized Solar Cell ◽

Dye Sensitized

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Electronic structure and optical properties calculation of Zn-porphyrin with N-annulated perylene adsorbed on TiO2 model for dye-sensitized solar cell applications: A DFT/TD-DFT study

Computational Materials Science ◽

10.1016/j.commatsci.2016.09.042 ◽

2017 ◽

Vol 126 ◽

pp. 514-527 ◽

Cited By ~ 11

Author(s):

Katherine Paredes-Gil ◽

Fernando Mendizabal ◽

Dayán Páez-Hernández ◽

Ramiro Arratia-Pérez

Keyword(s):

Optical Properties ◽

Electronic Structure ◽

Solar Cell ◽

Dft Study ◽

Dye Sensitized Solar Cell ◽

Dye Sensitized ◽

Td Dft

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Solvent Effects on the Adsorption Geometry and Electronic Structure of Dye-Sensitized TiO2: A First-Principles Investigation

The Journal of Physical Chemistry C ◽

10.1021/jp209420h ◽

2012 ◽

Vol 116 (9) ◽

pp. 5932-5940 ◽

Cited By ~ 68

Author(s):

Edoardo Mosconi ◽

Annabella Selloni ◽

Filippo De Angelis

Keyword(s):

Electronic Structure ◽

Solvent Effects ◽

First Principles ◽

Dye Sensitized ◽

Adsorption Geometry

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The sensitization effect and microscopic essence of different additives on the electronic structure of nanocrystalline TiO2 in dye-sensitized solar cell

Solar Energy ◽

10.1016/j.solener.2019.07.071 ◽

2019 ◽

Vol 189 ◽

pp. 372-384

Author(s):

Xiao-Lin Wang ◽

Jia-Ming Zhao ◽

Nuo Chen ◽

Na-Qing Cai ◽

Xiao Zhang ◽

...

Keyword(s):

Electronic Structure ◽

Solar Cell ◽

Dye Sensitized Solar Cell ◽

Nanocrystalline Tio2 ◽

Dye Sensitized ◽

Sensitization Effect

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First-Principles Approach for Assessing Cold Electron Injection Efficiency of Dye-Sensitized Solar Cell: Elucidation of Mechanism of Charge Injection and Recombination

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.9b10616 ◽

2020 ◽

Vol 124 (5) ◽

pp. 2817-2836 ◽

Cited By ~ 1

Author(s):

Pabitra Narayan Samanta ◽

D. Majumdar ◽

Szczepan Roszak ◽

Jerzy Leszczynski

Keyword(s):

Solar Cell ◽

First Principles ◽

Charge Injection ◽

Electron Injection ◽

Dye Sensitized Solar Cell ◽

Cold Electron ◽

Injection Efficiency ◽

Dye Sensitized ◽

Electron Injection Efficiency

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First principles study of the size effect of TiO2anatase nanoparticles in dye-sensitized solar cell

Modelling and Simulation in Materials Science and Engineering ◽

10.1088/0965-0393/18/2/025004 ◽

2010 ◽

Vol 18 (2) ◽

pp. 025004 ◽

Cited By ~ 27

Author(s):

Yinkai Lei ◽

Huijun Liu ◽

Wei Xiao

Keyword(s):

Solar Cell ◽

Size Effect ◽

First Principles ◽

Dye Sensitized Solar Cell ◽

Dye Sensitized ◽

First Principles Study

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Effects of Oxide Nanoparticle Size and Shape on Electronic Structure, Charge Transport, and Recombination in Dye-Sensitized Solar Cell Photoelectrodes

The Journal of Physical Chemistry C ◽

10.1021/jp412772b ◽

2014 ◽

Vol 118 (30) ◽

pp. 16791-16798 ◽

Cited By ~ 31

Author(s):

M. Hosni ◽

Y. Kusumawati ◽

S. Farhat ◽

N. Jouini ◽

Th. Pauporté

Keyword(s):

Electronic Structure ◽

Solar Cell ◽

Charge Transport ◽

Nanoparticle Size ◽

Dye Sensitized Solar Cell ◽

Size And Shape ◽

Dye Sensitized ◽

Oxide Nanoparticle

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Electronic-Structure Studies on Metal Complexes and Theoretical/Computational Chemistry for Molecular-Systems Design - Progress in Research on Dye-Sensitized Solar Cell -

Bulletin of Japan Society of Coordination Chemistry ◽

10.4019/bjscc.54.52 ◽

2009 ◽

Vol 54 (0) ◽

pp. 52-67

Author(s):

Manabu Sugimoto

Keyword(s):

Electronic Structure ◽

Solar Cell ◽

Metal Complexes ◽

Computational Chemistry ◽

Systems Design ◽

Dye Sensitized Solar Cell ◽

Molecular Systems ◽

Dye Sensitized

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An electro-optical and electron injection study of benzothiazole-based squaraine dyes as efficient dye-sensitized solar cell materials: a first principles study

Journal of Molecular Modeling ◽

10.1007/s00894-014-2517-9 ◽

2014 ◽

Vol 20 (12) ◽

Cited By ~ 6

Author(s):

Najat Saeed AL-Fahdan ◽

Abdullah M. Asiri ◽

Ahmad Irfan ◽

Salem A. Basaif ◽

Reda M. El-Shishtawy

Keyword(s):

Solar Cell ◽

First Principles ◽

Electron Injection ◽

Dye Sensitized Solar Cell ◽

Squaraine Dyes ◽

Dye Sensitized ◽

First Principles Study ◽

Injection Study

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