Adsorption of organic dyes on TiO2 surfaces in dye-sensitized solar cells: interplay of theory and experiment

Computational Investigations on Organic Sensitizers for Dye-Sensitized Solar Cell

(2012) Mariachiara Pastore et al.   CURRENT ORGANIC SYNTHESIS

High-efficiency dye-sensitized solar cell with a novel co-adsorbent

(2012) Liyuan Han et al.   Energy & Environmental Science

Combined Effects of π–π Stacking and Hydrogen Bonding on the (N1) Acidity of Uracil and Hydrolysis of 2′-Deoxyuridine

(2012) Jennifer L. Kellie et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Computational Investigation of Dye–Iodine Interactions in Organic Dye-Sensitized Solar Cells

(2012) Mariachiara Pastore et al.   Journal of Physical Chemistry C

What Is the Best Anchoring Group for a Dye in a Dye-Sensitized Solar Cell?

(2012) Francesco Ambrosio et al.   Journal of Physical Chemistry Letters

A cobalt complex redox shuttle for dye-sensitized solar cells with high open-circuit potentials

(2012) Jun-Ho Yum et al.   Nature Communications

Halogen bonding—a key step in charge recombination of the dye-sensitized solar cell

(2011) Matti Tuikka et al.   CHEMICAL COMMUNICATIONS

A strategy to design highly efficient porphyrin sensitizers for dye-sensitized solar cells

(2011) Yu-Cheng Chang et al.   CHEMICAL COMMUNICATIONS

Phenoxazine Dyes for Dye-Sensitized Solar Cells: Relationship Between Molecular Structure and Electron Lifetime

(2011) Karl Martin Karlsson et al.   CHEMISTRY-A EUROPEAN JOURNAL

A computational approach to the electronic and optical properties of Ru(II) and Ir(III) polypyridyl complexes: Applications to DSC, OLED and NLO

(2011) Simona Fantacci et al.   COORDINATION CHEMISTRY REVIEWS

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

(2011) Natalia Martsinovich et al.   Energy & Environmental Science

Energy levels, charge injection, charge recombination and dye regeneration dynamics for donor–acceptor π-conjugated organic dyes in mesoscopic TiO2 sensitized solar cells

(2011) Miquel Planells et al.   Energy & Environmental Science

Effect of water on the adsorbed structure of formic acid on TiO2 anatase (101)

(2011) Kristi L. Miller et al.   JOURNAL OF CATALYSIS

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

Probing Dye-Correlated Interplay of Energetics and Kinetics in Mesoscopic Titania Solar Cells with 4-tert-Butylpyridine

(2011) Huijin Long et al.   Journal of Physical Chemistry C

Effects of Water and Formic Acid Adsorption on the Electronic Structure of Anatase TiO2(101)

(2011) Kristi L. Miller et al.   Journal of Physical Chemistry C

Modeling ZnS and ZnO Nanostructures: Structural, Electronic, and Optical Properties

(2011) Jon M. Azpiroz et al.   Journal of Physical Chemistry C

Computational Spectroscopy Characterization of the Species Involved in Dye Oxidation and Regeneration Processes in Dye-Sensitized Solar Cells

(2011) Maria Grazia Lobello 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

Computational Modeling of Stark Effects in Organic Dye-Sensitized TiO2 Heterointerfaces

(2011) Mariachiara Pastore et al.   Journal of Physical Chemistry Letters

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

Engineering Organic Sensitizers for Iodine-Free Dye-Sensitized Solar Cells: Red-Shifted Current Response Concomitant with Attenuated Charge Recombination

(2011) Yu Bai et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Determining the Orientation and Molecular Packing of Organic Dyes on a TiO2Surface Using X-ray Reflectometry

(2011) Matthew J. Griffith et al.   LANGMUIR

The effect of ligand substitution and water co-adsorption on the adsorption dynamics and energy level matching of amino-phenyl acid dyes on TiO2

(2011) Sergei Manzhos et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Computational modelling of TiO2surfaces sensitized by organic dyes with different anchoring groups: adsorption modes, electronic structure and implication for electron injection/recombination

(2011) Mariachiara Pastore et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Porphyrin-Sensitized Solar Cells with Cobalt (II/III)-Based Redox Electrolyte Exceed 12 Percent Efficiency

(2011) A. Yella et al.   SCIENCE

Anchoring functional molecules on TiO2 surfaces: A comparison between the carboxylic and the phosphonic acid group

(2011) R. Luschtinetz et al.   European Physical Journal Plus

Direct vs. indirect injection mechanisms in perylene dye-sensitized solar cells: A DFT/TDDFT investigation

(2010) Filippo De Angelis   CHEMICAL PHYSICS LETTERS

Dye-Sensitized Solar Cells

(2010) Anders Hagfeldt et al.   CHEMICAL 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

Design and characterization of porphyrin sensitizers with a push-pull framework for highly efficient dye-sensitized solar cells

(2010) Sung-Lin Wu et al.   Energy & Environmental Science

Cyclometalated Ru Complexes of Type [RuII(N∧N)2(C∧N)]z: Physicochemical Response to Substituents Installed on the Anionic Ligand

(2010) Paolo G. Bomben et al.   INORGANIC CHEMISTRY

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

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

(2010) Natalia Martsinovich 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

The Influence of Local Electric Fields on Photoinduced Absorption in Dye-Sensitized Solar Cells

(2010) Ute B. Cappel et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Electronic and molecular structures of organic dye/TiO2 interfaces for solar cell applications: a core level photoelectron spectroscopy study

(2010) Maria Hahlin et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

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

Metal-Free Organic Dyes for Dye-Sensitized Solar Cells: From Structure: Property Relationships to Design Rules

(2009) Amaresh Mishra et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Time-dependent density functional theory study of squaraine dye-sensitized solar cells

(2009) Dario Rocca et al.   CHEMICAL PHYSICS LETTERS

Di-branched di-anchoring organic dyes for dye-sensitized solar cells

(2009) Alessandro Abbotto et al.   Energy & Environmental Science

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

Effect of Anchoring Group on Electron Injection and Recombination Dynamics in Organic Dye-Sensitized Solar Cells

(2009) Joanna Wiberg et al.   Journal of Physical Chemistry C

A Combined Experimental and Computational Investigation of Anthracene Based Sensitizers for DSSC: Comparison of Cyanoacrylic and Malonic Acid Electron Withdrawing Groups Binding onto the TiO2 Anatase (101) Surface

(2009) Kola Srinivas et al.   Journal of Physical Chemistry C

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

(2009) Paolo Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

New Paradigm in Molecular Engineering of Sensitizers for Solar Cell Applications

(2009) Takeru Bessho et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Structure/Function Relationships in Dyes for Solar Energy Conversion: A Two-Atom Change in Dye Structure and the Mechanism for Its Effect on Cell Voltage

(2009) Brian C. O’Regan 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

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

(2008) Seigo Ito et al.   CHEMICAL COMMUNICATIONS

Photodriven heterogeneous charge transfer with transition-metal compounds anchored to TiO2semiconductor surfaces

(2008) Shane Ardo et al.   CHEMICAL SOCIETY REVIEWS

Large photocurrent generation in dye-sensitized ZnO solar cells

(2008) Masaru Saito et al.   Energy & Environmental Science

Interfacial Electron-Transfer Kinetics in Metal-Free Organic Dye-Sensitized Solar Cells: Combined Effects of Molecular Structure of Dyes and Electrolytes

(2008) Masanori Miyashita et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Molecular Engineering of Organic Sensitizers for Dye-Sensitized Solar Cell Applications

(2008) Daniel P. Hagberg et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Enhance the Optical Absorptivity of Nanocrystalline TiO2Film with High Molar Extinction Coefficient Ruthenium Sensitizers for High Performance Dye-Sensitized Solar Cells

(2008) Feifei Gao 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

The Function of a TiO2Compact Layer in Dye-Sensitized Solar Cells Incorporating “Planar” Organic Dyes

(2008) Anthony Burke et al.   NANO LETTERS

Rhodaninedyes for dye-sensitized solar cells :  spectroscopy, energy levels and photovoltaic performance

(2008) Tannia Marinado et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Quantitative study of solvent effects on electron injection efficiency for black-dye-sensitized nanocrystalline TiO2 films

(2008) Ryuzi Katoh et al.   SOLAR ENERGY MATERIALS AND SOLAR CELLS