Modeling Ruthenium-Dye-Sensitized TiO2 Surfaces Exposing the (001) or (101) Faces: A First-Principles Investigation

Filippo De Angelis; Giuseppe Vitillaro; Ladislav Kavan; Mohammad. K. Nazeeruddin; Michael Grätzel

doi:10.1021/jp306186y

Modeling Ruthenium-Dye-Sensitized TiO2 Surfaces Exposing the (001) or (101) Faces: A First-Principles Investigation

The Journal of Physical Chemistry C ◽

10.1021/jp306186y ◽

2012 ◽

Vol 116 (34) ◽

pp. 18124-18131 ◽

Cited By ~ 46

Author(s):

Filippo De Angelis ◽

Giuseppe Vitillaro ◽

Ladislav Kavan ◽

Mohammad. K. Nazeeruddin ◽

Michael Grätzel

Keyword(s):

First Principles ◽

Dye Sensitized ◽

Ruthenium Dye

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Photoreduction of CO2 over Ruthenium dye-sensitized TiO2-based catalysts under concentrated natural sunlight

Catalysis Communications ◽

10.1016/j.catcom.2008.04.004 ◽

2008 ◽

Vol 9 (10) ◽

pp. 2073-2076 ◽

Cited By ~ 107

Author(s):

The-Vinh Nguyen ◽

Jeffrey C.S. Wu ◽

Chwei-Huann Chiou

Keyword(s):

Natural Sunlight ◽

Dye Sensitized ◽

Ruthenium Dye

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First principles study of thieno[2,3-b]indole-based organic dyes for dye-sensitized solar cells: Screen novel π-linkers and explore the interface between photosensitizers and TiO2

Journal of Power Sources ◽

10.1016/j.jpowsour.2016.07.001 ◽

2016 ◽

Vol 326 ◽

pp. 193-202 ◽

Cited By ~ 27

Author(s):

Yaping Wen ◽

Wenpeng Wu ◽

Yuanyuan Li ◽

Weiyi Zhang ◽

Zhaoyang Zeng ◽

...

Keyword(s):

Solar Cells ◽

First Principles ◽

Organic Dyes ◽

Dye Sensitized Solar Cells ◽

Dye Sensitized ◽

First Principles Study ◽

Sensitized Solar Cells

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First principles design novel D5 derivative dyes with excellent acceptors for highly efficient dye-sensitized solar cells

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2021.113374 ◽

2021 ◽

pp. 113374

Author(s):

Lanling Zhao ◽

Guochen Wang ◽

Yanbing Liu ◽

Zhenqing Yang

Keyword(s):

Solar Cells ◽

First Principles ◽

Dye Sensitized Solar Cells ◽

Dye Sensitized ◽

Highly Efficient ◽

Sensitized Solar Cells

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First-principles study of the excited-state properties of coumarin-derived dyes in dye-sensitized solar cells

Journal of Materials Chemistry ◽

10.1039/c1jm10953g ◽

2011 ◽

Vol 21 (30) ◽

pp. 11101 ◽

Cited By ~ 47

Author(s):

Saurabh Agrawal ◽

Pratibha Dev ◽

Niall J. English ◽

K. Ravindranathan Thampi ◽

J. M. D. MacElroy

Keyword(s):

Solar Cells ◽

Excited State ◽

First Principles ◽

Dye Sensitized Solar Cells ◽

Dye Sensitized ◽

First Principles Study ◽

Sensitized Solar Cells

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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 and Molecular Dynamics on A–D(Π)–A Type Sensitizers for Dye-Sensitized Solar Cells: Effects of Various Anchoring Groups on Electronic Coupling and Dye Aggregation

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.7b03409 ◽

2017 ◽

Vol 121 (26) ◽

pp. 14019-14026 ◽

Cited By ~ 12

Author(s):

Yaping Wen ◽

Huiqing Yang ◽

Danning Zheng ◽

Kenan Sun ◽

Li Wang ◽

...

Keyword(s):

Molecular Dynamics ◽

Solar Cells ◽

First Principles ◽

Dye Sensitized Solar Cells ◽

Electronic Coupling ◽

Dye Sensitized ◽

Dye Aggregation ◽

Anchoring Groups ◽

Sensitized Solar Cells

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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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Impact of Spin–Orbit Coupling on Photocurrent Generation in Ruthenium Dye-Sensitized Solar Cells

The Journal of Physical Chemistry Letters ◽

10.1021/jz402544r ◽

2014 ◽

Vol 5 (2) ◽

pp. 375-380 ◽

Cited By ~ 27

Author(s):

Simona Fantacci ◽

Enrico Ronca ◽

Filippo De Angelis

Keyword(s):

Solar Cells ◽

Dye Sensitized Solar Cells ◽

Orbit Coupling ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

Dye Sensitized ◽

Photocurrent Generation ◽

Ruthenium Dye ◽

Sensitized Solar Cells

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Insights Into Dye-Sensitized Solar Cells From Macroscopic-Scale First-Principles Mathematical Modeling

Dye-Sensitized Solar Cells ◽

10.1016/b978-0-12-814541-8.00003-3 ◽

2019 ◽

pp. 83-119

Author(s):

Masoud Soroush ◽

Kenneth K.S. Lau

Keyword(s):

Mathematical Modeling ◽

Solar Cells ◽

First Principles ◽

Dye Sensitized Solar Cells ◽

Macroscopic Scale ◽

Dye Sensitized ◽

Sensitized Solar Cells

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Density Functional Theory Studies of Ruthenium Dye (N3) Adsorbed on a TiO2 Brookite Cluster for Application in Dye Sensitized Solar Cells

Advances in Quantum Systems in Chemistry, Physics, and Biology - Progress in Theoretical Chemistry and Physics ◽

10.1007/978-3-030-34941-7_8 ◽

2020 ◽

pp. 143-155 ◽

Cited By ~ 1

Author(s):

I. F. Elegbeleye ◽

N. E. Maluta ◽

R. R. Maphanga

Keyword(s):

Density Functional Theory ◽

Solar Cells ◽

Density Functional ◽

Dye Sensitized Solar Cells ◽

Functional Theory ◽

Dye Sensitized ◽

Ruthenium Dye ◽

Sensitized Solar Cells

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