Theoretical studies of dye-sensitised solar cells: from electronic structure to elementary processes

Structures and spectroscopic properties of ruthenium phenanthroline solar-cell sensitizers: A computational study

(2011) Xiao-Qin Gao et al.   CHEMICAL PHYSICS LETTERS

A model for recombination in Type II dye-sensitized solar cells: Catechol–thiophene dyes

(2011) Sergei Manzhos et al.   CHEMICAL PHYSICS LETTERS

pH-Sensitive Bis(2,2′:6′,2"-terpyridine)ruthenium(II) Complexes - A DFT/TDDFT Investigation of Their Spectroscopic Properties

(2011) Maria Grazia Lobello et al.   EUROPEAN JOURNAL OF INORGANIC CHEMISTRY

Ruthenium polypyridine complexes as sensitizers in NiO based p-type dye-sensitized solar cells: Effects of the anchoring groups

(2011) Yann Pellegrin et al.   JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY

Absorption Spectra and Excited State Energy Levels of the N719 Dye on TiO2 in Dye-Sensitized Solar Cell Models

(2011) Filippo De Angelis et al.   Journal of Physical Chemistry C

Effect of Cations on the Interactions of Ru Dye and Iodides in Dye-Sensitized Solar Cells: A Density Functional Theory Study

(2011) Hitoshi Kusama et al.   Journal of Physical Chemistry C

Insights into Working Principles of Ruthenium Polypyridyl Dye-Sensitized Solar Cells from First Principles Modeling

(2011) Frédéric Labat et al.   Journal of Physical Chemistry C

Theoretical Study on the Interactions between Black Dye and Iodide in Dye-Sensitized Solar Cells

(2011) Hitoshi Kusama et al.   Journal of Physical Chemistry C

High-Throughput Computational Screening of Chromophores for Dye-Sensitized Solar Cells

(2011) Natalia Martsinovich et al.   Journal of Physical Chemistry C

Can Polypyridyl Cu(I)-based Complexes Provide Promising Sensitizers for Dye-Sensitized Solar Cells? A Theoretical Insight into Cu(I) versus Ru(II) Sensitizers

(2011) Xiaoqing Lu et al.   Journal of Physical Chemistry C

Quantifying Regeneration in Dye-Sensitized Solar Cells

(2011) Assaf Y. Anderson et al.   Journal of Physical Chemistry C

Cobalt Polypyridyl-Based Electrolytes for p-Type Dye-Sensitized Solar Cells

(2011) Elizabeth A. Gibson et al.   Journal of Physical Chemistry C

Simulating Dye-Sensitized TiO2 Heterointerfaces in Explicit Solvent: Absorption Spectra, Energy Levels, and Dye Desorption

(2011) Filippo De Angelis et al.   Journal of Physical Chemistry Letters

Theoretical Procedure for Optimizing Dye-Sensitized Solar Cells: From Electronic Structure to Photovoltaic Efficiency

(2011) Tangui Le Bahers et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Acetylacetone, an Interesting Anchoring Group for ZnO-Based Organic−Inorganic Hybrid Materials: A Combined Experimental and Theoretical Study

(2011) Tangui Le Bahers et al.   LANGMUIR

Lithium-Modulated Conduction Band Edge Shifts and Charge-Transfer Dynamics in Dye-Sensitized Solar Cells Based on a Dicyanamide Ionic Liquid

(2011) Yu Bai et al.   LANGMUIR

Interactions of the N3 dye with the iodide redox shuttle: quantum chemical mechanistic studies of the dye regeneration in the dye-sensitized solar cell

(2011) Abu Md Asaduzzaman et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Characterization of nanostructured hybrid and organic solar cells by impedance spectroscopy

(2011) Francisco Fabregat-Santiago et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Computational studies of the interactions of I− and I3 − with TiO2 clusters: implications for dye-sensitized solar cells

(2011) Abu Md. Asaduzzaman et al.   THEORETICAL CHEMISTRY ACCOUNTS

New Photovoltaic Devices Based on the Sensitization of p-type Semiconductors: Challenges and Opportunities

(2010) Fabrice Odobel et al.   ACCOUNTS OF CHEMICAL RESEARCH

Derivative coupling constants of NK1, NK7 dyes and their relation to excited state dynamics in solar cell applications

(2010) Sergei Manzhos et al.   CHEMICAL PHYSICS LETTERS

Dye-Sensitized Solar Cells

(2010) Anders Hagfeldt et al.   CHEMICAL REVIEWS

Sensitizer molecular structure-device efficiency relationship in dye sensitized solar cells

(2010) John N. Clifford et al.   CHEMICAL SOCIETY REVIEWS

Efficient Dye-Sensitized Solar Cells with an Organic Photosensitizer Featuring Orderly Conjugated Ethylenedioxythiophene and Dithienosilole Blocks

(2010) Wangdong Zeng et al.   CHEMISTRY OF MATERIALS

Indoline dyes with various acceptors for dye-sensitized solar cells

(2010) Joo Young Kim et al.   CURRENT APPLIED PHYSICS

Substituted [Cu(i)(POP)(bipyridyl)] and related complexes: Synthesis, structure, properties and applications to dye-sensitised solar cells

(2010) Charlotte L. Linfoot et al.   DALTON TRANSACTIONS

Panchromatic engineering for dye-sensitized solar cells

(2010) Jun-Ho Yum et al.   Energy & Environmental Science

Design of New Triphenylamine-Sensitized Solar Cells: A Theoretical Approach

(2010) Julien Preat et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Dinuclear Ru-Cu Complexes: Electronic Characterisation and Application to Dye-Sensitised Solar Cells

(2010) Keri L. McCall et al.   EUROPEAN JOURNAL OF INORGANIC CHEMISTRY

Systematic Study of Modifications to Ruthenium(II) Polypyridine Dyads for Electron Injection Enhancement

(2010) Elena Jakubikova et al.   INORGANIC CHEMISTRY

Density-functional analysis of the electronic structure of tris-bipyridyl Ru(II) sensitisers

(2010) Gregory J. Wilson et al.   INORGANICA CHIMICA ACTA

Computational Study of Promising Organic Dyes for High-Performance Sensitized Solar Cells

(2010) David Casanova et al.   Journal of Chemical Theory and Computation

Real-Time TD-DFT Simulations in Dye Sensitized Solar Cells: The Electronic Absorption Spectrum of Alizarin Supported on TiO2Nanoclusters

(2010) Rocío Sánchez-de-Armas et al.   Journal of Chemical Theory and Computation

Electron Dynamics in Dye-Sensitized Solar Cells: Effects of Surface Terminations and Defects

(2010) Zi Li et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Bonding of Methyl Phosphonate to TiO2(110)

(2010) C. L. Pang et al.   Journal of Physical Chemistry C

Simultaneous Interactions of Ru Dye with Iodide Ions and Nitrogen-Containing Heterocycles in Dye-Sensitized Solar Cells

(2010) Hitoshi Kusama et al.   Journal of Physical Chemistry C

Computational Studies of the Interaction between Ruthenium Dyes and X− and X2−, X = Br, I, At. Implications for Dye-Sensitized Solar Cells

(2010) Ching-Han Hu et al.   Journal of Physical Chemistry C

4-tert-Butyl Pyridine Bond Site and Band Bending on TiO2(110)

(2010) Shun Yu et al.   Journal of Physical Chemistry C

Theoretical Study of Photoinduced Electron-Transfer Processes in the Dye−Semiconductor System Alizarin−TiO2

(2010) Jingrui Li et al.   Journal of Physical Chemistry C

Kinetic Competition in a Coumarin Dye-Sensitized Solar Cell: Injection and Recombination Limitations upon Device Performance

(2010) Sara E. Koops et al.   Journal of Physical Chemistry C

Electronic Structure of TiO2 Surfaces and Effect of Molecular Adsorbates Using Different DFT Implementations

(2010) Natalia Martsinovich et al.   Journal of Physical Chemistry C

Tunability of the Band Energetics of Nanostructured SrTiO3 Electrodes for Dye-Sensitized Solar Cells

(2010) Shuming Yang et al.   Journal of Physical Chemistry C

Light Intensity Independent Electron Transport and Slow Charge Recombination in Dye-Sensitized In2O3 Solar Cells: In Contrast to the Case of TiO2

(2010) Shogo Mori et al.   Journal of Physical Chemistry C

A Computational Investigation of Organic Dyes for Dye-Sensitized Solar Cells: Benchmark, Strategies, and Open Issues

(2010) Mariachiara Pastore et al.   Journal of Physical Chemistry C

Adsorption of Catechol on TiO2 Rutile (100): A Density Functional Theory Investigation

(2010) U. Terranova et al.   Journal of Physical Chemistry C

Study of Redox Species and Oxygen Vacancy Defects at TiO2−Electrolyte Interfaces

(2010) Robson da Silva et al.   Journal of Physical Chemistry C

Synthesis and Mechanistic Studies of Organic Chromophores with Different Energy Levels for p-Type Dye-Sensitized Solar Cells

(2010) Peng Qin et al.   Journal of Physical Chemistry C

Protonation-Dependent Binding of Ruthenium Bipyridyl Complexes to the Anatase(101) Surface

(2010) Florian Schiffmann et al.   Journal of Physical Chemistry C

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

(2010) Filippo De Angelis et al.   Journal of Physical Chemistry C

Ordered Mesoporous SnO2−Based Photoanodes for High-Performance Dye-Sensitized Solar Cells

(2010) Easwaramoorthi Ramasamy et al.   Journal of Physical Chemistry C

DFT and TD-DFT studies on symmetrical squaraine dyes for nanocrystalline solar cells

(2010) Jie Xu et al.   MONATSHEFTE FUR CHEMIE

Relating Energy Level Alignment and Amine-Linked Single Molecule Junction Conductance

(2010) M. Dell’Angela et al.   NANO LETTERS

Electron and Hole Dynamics in Dye-Sensitized Solar Cells: Influencing Factors and Systematic Trends

(2010) Sheng Meng et al.   NANO LETTERS

New molecular design of donor-π-acceptor dyes for dye-sensitized solar cells: control of molecular orientation and arrangement on TiO2surface

(2010) Yousuke Ooyama et al.   NEW JOURNAL OF CHEMISTRY

A method to rapidly predict the charge injection rate in dye sensitized solar cells

(2010) Daniel R. Jones et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Computational studies on the interactions among redox couples, additives and TiO2: implications for dye-sensitized solar cells

(2010) Abu Md. Asaduzzaman et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Effect of solvent and additives on the open-circuit voltage of ZnO-based dye-sensitized solar cells: a combined theoretical and experimental study

(2010) Tangui Le Bahers et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

On the viability of cyclometalated Ru(ii) complexes as dyes in DSSC regulated by COOH group, a DFT study

(2010) Jian Wang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Aligning electronic energy levels at theTiO2/H2Ointerface

(2010) Jun Cheng et al.   PHYSICAL REVIEW B

An atomistic picture of the regeneration process in dye sensitized solar cells

(2010) F. Schiffmann et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Electron traps and their effect on the surface chemistry of TiO2(110)

(2010) A. C. Papageorgiou et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Theoretical study of indoline dyes for dye-sensitized solar cells

(2010) Ho Wan Ham et al.   THIN SOLID FILMS

Kinetic and Energetic Paradigms for Dye-Sensitized Solar Cells: Moving from the Ideal to the Real

(2009) Brian C. O’Regan et al.   ACCOUNTS OF CHEMICAL RESEARCH

Characteristics of the Iodide/Triiodide Redox Mediator in Dye-Sensitized Solar Cells

(2009) Gerrit Boschloo et al.   ACCOUNTS OF CHEMICAL RESEARCH

Recent Advances in Sensitized Mesoscopic Solar Cells

(2009) Michael Grätzel   ACCOUNTS OF CHEMICAL RESEARCH

Aggregation of Organic Dyes on TiO2 in Dye-Sensitized Solar Cells Models: An ab Initio Investigation

(2009) Mariachiara Pastore et al.   ACS Nano

Molecular Design of Unsymmetrical Squaraine Dyes for High Efficiency Conversion of Low Energy Photons into Electrons Using TiO2Nanocrystalline Films

(2009) Thomas Geiger et al.   ADVANCED FUNCTIONAL MATERIALS

Estimating the Maximum Attainable Efficiency in Dye-Sensitized Solar Cells

(2009) Henry J. Snaith   ADVANCED FUNCTIONAL MATERIALS

High Incident Photon-to-Current Conversion Efficiency of p-Type Dye-Sensitized Solar Cells Based on NiO and Organic Chromophores

(2009) Peng Qin et al.   ADVANCED MATERIALS

ZnO Nanostructures for Dye-Sensitized Solar Cells

(2009) Qifeng Zhang et al.   ADVANCED MATERIALS

QM/MM Methods for Biomolecular Systems

(2009) Hans Martin Senn et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

High efficiency and stable dye-sensitized solar cells with an organic chromophore featuring a binary π-conjugated spacer

(2009) Guangliang Zhang et al.   CHEMICAL COMMUNICATIONS

Laser pulse control of bridge mediated heterogeneous electron transfer

(2009) Luxia Wang et al.   CHEMICAL PHYSICS

Calculations of interfacial interactions in pyrene-Ipa rod sensitized nanostructured TiO2

(2009) Suman Kalyan Pal et al.   DALTON TRANSACTIONS

Highly stable sensitizer dyes for dye-sensitized solar cells: role of the oligothiophene moiety

(2009) Ryuzi Katoh et al.   Energy & Environmental Science

Hydroxamate anchors for water-stable attachment to TiO2 nanoparticles

(2009) William R. McNamara et al.   Energy & Environmental Science

Effect of ancillary ligands on the photophysical properties of Ru(II) complexes bearing a highly conjugated diimine ligand: A density functional theory study

(2009) Jen-Fu Yin et al.   INORGANICA CHIMICA ACTA

Modeling ZnO phases using a periodic approach: From bulk to surface and beyond

(2009) Frédéric Labat et al.   JOURNAL OF CHEMICAL PHYSICS

The electronic structure of oxygen atom vacancy and hydroxyl impurity defects on titanium dioxide (110) surface

(2009) Taketoshi Minato et al.   JOURNAL OF CHEMICAL PHYSICS

Extensive TD-DFT Benchmark: Singlet-Excited States of Organic Molecules

(2009) Denis Jacquemin et al.   Journal of Chemical Theory and Computation

Charge recombination studies in conformally coated trifluoroacetate/TiO2 modified dye sensitized solar cells (DSSC)

(2009) Antonio Sánchez-Díaz et al.   JOURNAL OF MATERIALS CHEMISTRY

Meta-substituted RuII rigid rods for sensitization of TiO2

(2009) Maria Abrahamsson et al.   JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY

Interfacial Electron Transfer in TiO2Surfaces Sensitized with Ru(II)−Polypyridine Complexes

(2009) Elena Jakubikova et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Substituent Effect on the Meso-Substituted Porphyrins: Theoretical Screening of Sensitizer Candidates for Dye-Sensitized Solar Cells

(2009) Ruimin Ma et al.   JOURNAL OF PHYSICAL CHEMISTRY A

DFT/TD-DFT Investigation of Electronic Structures and Spectra Properties of Cu-Based Dye Sensitizers

(2009) Xiaoqing Lu et al.   JOURNAL OF PHYSICAL CHEMISTRY A

A Study of the Interactions between I−/I3− Redox Mediators and Organometallic Sensitizing Dyes in Solar Cells

(2009) Timofei Privalov et al.   Journal of Physical Chemistry C

Nitrogen-Containing Heterocycles’ Interaction with Ru Dye in Dye-Sensitized Solar Cells

(2009) Hitoshi Kusama et al.   Journal of Physical Chemistry C

Visible Light Sensitization of TiO2 Surfaces with Alq3 Complexes

(2009) Luis G. C. Rego et al.   Journal of Physical Chemistry C

Dynamics of Photoinduced Proton-Coupled Electron Transfer at Molecule−Semiconductor Interfaces: A Reduced Density Matrix Approach

(2009) Charulatha Venkataraman et al.   Journal of Physical Chemistry C

Adsorption of Phosphonic Acid at the TiO2 Anatase (101) and Rutile (110) Surfaces

(2009) Regina Luschtinetz et al.   Journal of Physical Chemistry C

Dye-Sensitized Solar Cells with a High Absorptivity Ruthenium Sensitizer Featuring a 2-(Hexylthio)thiophene Conjugated Bipyridine

(2009) Yiming Cao et al.   Journal of Physical Chemistry C

Correlation between Bonding Geometry and Band Gap States at Organic−Inorganic Interfaces: Catechol on Rutile TiO2(110)

(2009) Shao-Chun Li et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

First Principles Modeling of Eosin-Loaded ZnO Films: A Step toward the Understanding of Dye-Sensitized Solar Cell Performances

(2009) Frédéric Labat et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

High Open-Circuit Voltage Solid-State Dye-Sensitized Solar Cells with Organic Dye

(2009) Peter Chen et al.   NANO LETTERS

Modelling energy level alignment at organic interfaces and density functional theory

(2009) F. Flores et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A TD-DFT investigation of ground and excited state properties in indoline dyes used for dye-sensitized solar cells

(2009) Tangui Le Bahers et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Dynamics of the Photoexcited Electron at the Chromophore–Semiconductor Interface

(2008) Oleg V. Prezhdo et al.   ACCOUNTS OF CHEMICAL RESEARCH

Relationship between the molecular orbital structure of the dyes and photocurrent density in the dye-sensitized solar cells

(2008) R. Jose et al.   APPLIED PHYSICS LETTERS

An element of surprise—efficient copper-functionalized dye-sensitized solar cells

(2008) Takeru Bessho et al.   CHEMICAL COMMUNICATIONS

High-conversion-efficiency organic dye-sensitized solar cells with a novel indoline dye

(2008) Seigo Ito et al.   CHEMICAL COMMUNICATIONS

Dye-sensitized solar cells: A safe bet for the future.

(2008) Luís Moreira Gonçalves et al.   Energy & Environmental Science

Vertically-aligned nanostructures of ZnO for excitonic solar cells: a review

(2008) Irene Gonzalez-Valls et al.   Energy & Environmental Science

Theoretical Studies on Structures and Spectroscopic Properties of Photoelectrochemical Cell Ruthenium Sensitizers, [Ru(Hmtcterpy)(NCS)3]n−(m= 0, 1, 2, and 3;n= 4, 3, 2, and 1)

(2008) Ming-Xia Li et al.   INORGANIC CHEMISTRY

Modeling doped and defective oxides in catalysis with density functional theory methods: Room for improvements

(2008) Gianfranco Pacchioni   JOURNAL OF CHEMICAL PHYSICS

Systematic optimization of long-range corrected hybrid density functionals

(2008) Jeng-Da Chai et al.   JOURNAL OF CHEMICAL PHYSICS

A new ruthenium polypyridyl dye, TG6, whose performance in dye-sensitized solar cells is surprisingly close to that of N719, the ‘dye to beat’ for 17 years

(2008) Farah Matar et al.   JOURNAL OF MATERIALS CHEMISTRY

Theoretical Insights on the Electronic Properties of Eosin Y, an Organic Dye for Photovoltaic Applications

(2008) Sandrine Hazebroucq et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Dynamical Simulation of Photoinduced Electron Transfer Reactions in Dye−Semiconductor Systems with Different Anchor Groups

(2008) Jingrui Li et al.   Journal of Physical Chemistry C

Coumarin 343−NiO Films as Nanostructured Photocathodes in Dye-Sensitized Solar Cells: Ultrafast Electron Transfer, Effect of the I3−/I− Redox Couple and Mechanism of Photocurrent Generation

(2008) Ana Morandeira et al.   Journal of Physical Chemistry C

Atomistic simulations of a solid/liquid interface: a combined force field and first principles approach to the structure and dynamics of acetonitrile near an anatase surface

(2008) Florian Schiffmann et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Temperature Independence of the Photoinduced Electron Injection in Dye-Sensitized TiO2Rationalized by Ab Initio Time-Domain Density Functional Theory

(2008) Walter R. Duncan et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Evidence for Iodine Atoms as Intermediates in the Dye Sensitized Formation of I−I Bonds

(2008) James M. Gardner et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Acetylacetonate Anchors for Robust Functionalization of TiO2Nanoparticles with Mn(II)−Terpyridine Complexes

(2008) William R. McNamara et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Characterization of Solid-State Dye-Sensitized Solar Cells Utilizing High Absorption Coefficient Metal-Free Organic Dyes

(2008) Wendy H. Howie et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Design of an Organic Chromophore for P-Type Dye-Sensitized Solar Cells

(2008) Peng Qin et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

TiO2Band Shift by Nitrogen-Containing Heterocycles in Dye-Sensitized Solar Cells:  a Periodic Density Functional Theory Study

(2008) Hitoshi Kusama et al.   LANGMUIR

Natural Dyes Adsorbed on TiO2Nanowire for Photovoltaic Applications: Enhanced Light Absorption and Ultrafast Electron Injection

(2008) Sheng Meng et al.   NANO LETTERS

Alignment of the dye’s molecular levels with the TiO2band edges in dye-sensitized solar cells: a DFT–TDDFT study

(2008) Filippo De Angelis et al.   NANOTECHNOLOGY

Achievement of 4.7% conversion efficiency in ZnO dye-sensitized solar cells fabricated by spray deposition using hydrothermally synthesized nanoparticles

(2008) A Ranga Rao et al.   NANOTECHNOLOGY

DFT/TD-DFT molecular design of porphyrin analogues for use in dye-sensitized solar cells

(2008) Mannix P. Balanay et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Adsorption of oxalate on rutile particles in aqueous solutions: a spectroscopic, electron-microscopic and theoretical study

(2008) Cecilia B. Mendive et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections

(2008) Jeng-Da Chai et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Two-photon photoemission spectra related to an ultrafast heterogeneous electron transfer from perylene toTiO2

(2008) Dmitry V. Tsivlin et al.   PHYSICAL REVIEW B

Effect of on-site Coulomb repulsion termUon the band-gap states of the reduced rutile (110)TiO2surface

(2008) Carmen J. Calzado et al.   PHYSICAL REVIEW B

Ab initiostudy of the electronic states induced by oxygen vacancies in rutile and anataseTiO2

(2008) G. Mattioli et al.   PHYSICAL REVIEW B

DFT study of carboxylic acids modes of adsorption on rutile TiO2(011) surfaces

(2008) P.R. McGill et al.   SURFACE SCIENCE

Theoretical studies on the absorption spectra of heteroleptic ruthenium polypyridyl dyes for nanocrystalline TiO2 solar cells: Revisited with transition-component analysis

(2007) Osamu Kitao et al.   INORGANICA CHIMICA ACTA

TD-DFT Performance for the Visible Absorption Spectra of Organic Dyes:  Conventional versus Long-Range Hybrids

(2007) Denis Jacquemin et al.   Journal of Chemical Theory and Computation

DFT investigation of the TiO2 band shift by nitrogen-containing heterocycle adsorption and implications on dye-sensitized solar cell performance

(2007) Hitoshi Kusama et al.   SOLAR ENERGY MATERIALS AND SOLAR CELLS