Quantitative structure-property relationship modeling of Grätzel solar cell dyes

Molecular Engineering of a Fluorene Donor for Dye-Sensitized Solar Cells

(2013) Aswani Yella et al.   CHEMISTRY OF MATERIALS

Molecular Design Principle of All-organic Dyes for Dye-Sensitized Solar Cells

(2013) Bong-Gi Kim et al.   CHEMISTRY-A EUROPEAN JOURNAL

Angular response of photonic crystal based dye sensitized solar cells

(2013) Carmen López-López et al.   Energy & Environmental Science

Quantum Mechanics-Based Properties for 3D-QSAR

(2013) Ahmed El Kerdawy et al.   Journal of Chemical Information and Modeling

Quantitative Structure–Property Relationship Modeling of Diverse Materials Properties

(2012) Tu Le et al.   CHEMICAL REVIEWS

Novel D–A–π–A coumarin dyes containing low band-gap chromophores for dye-sensitised solar cells

(2012) Kang Deuk Seo et al.   DYES AND PIGMENTS

Influence of the dye molecular structure on the TiO2conduction band in dye-sensitized solar cells: disentangling charge transfer and electrostatic effects

(2012) Enrico Ronca et al.   Energy & Environmental Science

Molecular modification of coumarin dyes for more efficient dye sensitized solar cells

(2012) Rocío Sánchez-de-Armas et al.   JOURNAL OF CHEMICAL PHYSICS

Novel branched coumarin dyes for dye-sensitized solar cells: significant improvement in photovoltaic performance by simple structure modification

(2012) Bo Liu et al.   JOURNAL OF MATERIALS CHEMISTRY

An Evolutionary Algorithm for de Novo Optimization of Functional Transition Metal Compounds

(2012) Yunhan Chu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Donor–Acceptor Copolymers of Relevance for Organic Photovoltaics: A Theoretical Investigation of the Impact of Chemical Structure Modifications on the Electronic and Optical Properties

(2012) Laxman Pandey et al.   MACROMOLECULES

Rational Design of High Performance Conjugated Polymers for Organic Solar Cells

(2012) Huaxing Zhou et al.   MACROMOLECULES

The renaissance of dye-sensitized solar cells

(2012) Brian E. Hardin et al.   Nature Photonics

Coumarin dyes containing low-band-gap chromophores for dye-sensitised solar cells

(2011) Kang Deuk Seo et al.   DYES AND PIGMENTS

The structure–property relationship of organic dyes in mesoscopic titania solar cells: only one double-bond difference

(2011) Jingyuan Liu et al.   Energy & Environmental Science

Accelerated computational discovery of high-performance materials for organic photovoltaics by means of cheminformatics

(2011) Roberto Olivares-Amaya et al.   Energy & Environmental Science

3D-QSPR Method of Computational Technique Applied on Red Reactive Dyes by Using CoMFA Strategy

(2011) Uzma Mahmood et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

A 3D-QSAR-Driven Approach to Binding Mode and Affinity Prediction

(2011) Paolo Tosco et al.   Journal of Chemical Information and Modeling

A rational design strategy for donors in organic solar cells: the conjugated planar molecules possessing anisotropic multibranches and intramolecular charge transfer

(2011) Xue Yong et al.   JOURNAL OF MATERIALS CHEMISTRY

Computational Design and Selection of Optimal Organic Photovoltaic Materials

(2011) Noel M. O’Boyle et al.   Journal of Physical Chemistry C

The Harvard Clean Energy Project: Large-Scale Computational Screening and Design of Organic Photovoltaics on the World Community Grid

(2011) Johannes Hachmann et al.   Journal of Physical Chemistry Letters

Impact of High Charge-Collection Efficiencies and Dark Energy-Loss Processes on Transport, Recombination, and Photovoltaic Properties of Dye-Sensitized Solar Cells

(2011) Kai Zhu et al.   Journal of Physical Chemistry Letters

An integrated organic passive pixel sensor

(2011) Xiaoran Tong et al.   ORGANIC ELECTRONICS

High performance optoelectronic device based on semitransparent organic photovoltaic cell integrated with organic light-emitting diode

(2011) Xi Zu Wang et al.   ORGANIC ELECTRONICS

Coumarin derivatives for dye sensitized solar cells: a TD-DFT study

(2011) Rocío Sánchez-de-Armas et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Photo-catalytic properties of silicon and its future in photovoltaic applications

(2011) Aleksandar Mitrašinović   RENEWABLE & SUSTAINABLE ENERGY REVIEWS

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

(2011) A. Yella et al.   SCIENCE

Solar photovoltaic electricity: Current status and future prospects

(2011) T.M. Razykov et al.   SOLAR ENERGY

A TD-DFT study of the effects of structural variations on the photochemistry of polyenedyes

(2011) Saurabh Agrawal et al.   Chemical Science

From computational discovery to experimental characterization of a high hole mobility organic crystal

(2011) Anatoliy N. Sokolov et al.   Nature Communications

Confab - Systematic generation of diverse low-energy conformers

(2011) Noel M O'Boyle et al.   Journal of Cheminformatics

For the Bright Future-Bulk Heterojunction Polymer Solar Cells with Power Conversion Efficiency of 7.4%

(2010) Yongye Liang et al.   ADVANCED MATERIALS

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

Variable selection in regression-a tutorial

(2010) C. M. Andersen et al.   JOURNAL OF CHEMOMETRICS

Open3DQSAR: a new open-source software aimed at high-throughput chemometric analysis of molecular interaction fields

(2010) Paolo Tosco et al.   JOURNAL OF MOLECULAR MODELING

Structural Modification of Organic Dyes for Efficient Coadsorbent-Free Dye-Sensitized Solar Cells

(2010) Xiao Jiang et al.   Journal of Physical Chemistry C

Measuring temperature dependence of photoelectric conversion efficiency with dye-sensitized solar cells

(2010) Chen-Ching Ting et al.   MEASUREMENT

Exhaustive Structure Generation for Inverse-QSPR/QSAR

(2010) Tomoyuki Miyao et al.   Molecular Informatics

QSPR study of absorption maxima of organic dyes for dye-sensitized solar cells based on 3D descriptors

(2010) Jie Xu et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Organic Photovoltaics

(2009) Jean-Luc Bredas et al.   ACCOUNTS OF CHEMICAL RESEARCH

Quantitative structure-λmax relationship study on flavones by heuristic method and radial basis function neural network

(2009) Huitao Liu et al.   ANALYTICA CHIMICA ACTA

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

Fewer permutations, more accurate P-values

(2009) Theo A. Knijnenburg et al.   BIOINFORMATICS

Excited-state properties from ground-state DFT descriptors: A QSPR approach for dyes

(2009) Guillaume Fayet et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Bulk heterojunction solar cells with internal quantum efficiency approaching 100%

(2009) Sung Heum Park et al.   Nature Photonics

Universal aspects of photocurrent-voltage characteristics in dye-sensitized nanocrystallineTiO2photoelectrochemical cells

(2009) J. S. Agnaldo et al.   PHYSICAL REVIEW B

External Validation and Prediction Employing the Predictive Squared Correlation Coefficient  Test Set Activity Mean vs Training Set Activity Mean

(2008) Gerrit Schüürmann et al.   Journal of Chemical Information and Modeling

Pharao: Pharmacophore alignment and optimization

(2008) Jonatan Taminau et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Molecular Design of Coumarin Dyes for Stable and Efficient Organic Dye-Sensitized Solar Cells

(2008) Zhong-Sheng Wang et al.   Journal of Physical Chemistry C

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

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

Novel iminocoumarin dyes as photosensitizers for dye-sensitized solar cell

(2008) Velappan Kandavelu et al.   SOLAR ENERGY

Polymer–Fullerene Composite Solar Cells

(2007) Barry C. Thompson et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Toward robust QSPR models: Synergistic utilization of robust regression and variable elimination

(2007) Rainer Grohmann et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Toward a Rational Design of Poly(2,7-Carbazole) Derivatives for Solar Cells

(2007) Nicolas Blouin et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY