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

Development of Fluorinated Benzothiadiazole as a Structural Unit for a Polymer Solar Cell of 7 % Efficiency

(2011) Huaxing Zhou et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Conjugated polymer–inorganic semiconductor hybrid solar cells

(2011) Tingting Xu et al.   Energy & Environmental Science

New conjugated polymers for plastic solar cells

(2011) David Gendron et al.   Energy & Environmental Science

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

Fluorine Substituted Conjugated Polymer of Medium Band Gap Yields 7% Efficiency in Polymer−Fullerene Solar Cells

(2011) Samuel C. Price et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Low-Band-Gap Polymers That Utilize Quinoid Resonance Structure Stabilization by Thienothiophene: Fine-Tuning of HOMO Level

(2011) Nabil Kleinhenz et al.   MACROMOLECULES

Identifying the 'inorganic gene' for high-temperature piezoelectric perovskites through statistical learning

(2011) P. V. Balachandran et al.   PROCEEDINGS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES

Outlook Brightens for Plastic Solar Cells

(2011) R. F. Service   SCIENCE

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

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

A Weak Donor−Strong Acceptor Strategy to Design Ideal Polymers for Organic Solar Cells

(2010) Huaxing Zhou et al.   ACS Applied Materials & Interfaces

On Realizing Higher Efficiency Polymer Solar Cells Using a Textured Substrate Platform

(2010) Kanwar S. Nalwa et al.   ADVANCED MATERIALS

Enhanced Photovoltaic Performance of Low-Bandgap Polymers with Deep LUMO Levels

(2010) Huaxing Zhou et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Quantitative Correlation of Physical and Chemical Properties with Chemical Structure: Utility for Prediction

(2010) Alan R. Katritzky et al.   CHEMICAL REVIEWS

Semiconducting polymers: the Third Generation

(2010) Alan J. Heeger   CHEMICAL SOCIETY REVIEWS

Small-Molecule, Nonfullerene Acceptors for Polymer Bulk Heterojunction Organic Photovoltaics†

(2010) John E. Anthony   CHEMISTRY OF MATERIALS

Elementary processes and limiting factors in hybrid polymer/nanoparticle solar cells

(2010) Holger Borchert   Energy & Environmental Science

De novodesign: balancing novelty and confined chemical space

(2010) Peter S Kutchukian et al.   Expert Opinion on Drug Discovery

Data Mined Ionic Substitutions for the Discovery of New Compounds

(2010) Geoffroy Hautier et al.   INORGANIC CHEMISTRY

Chemical Hieroglyphs: Abstract Depiction of Complex Void Space Topology of Nanoporous Materials

(2010) Kevin Theisen et al.   Journal of Chemical Information and Modeling

Automatic Structure Analysis in High-Throughput Characterization of Porous Materials

(2010) Maciej Haranczyk et al.   Journal of Chemical Theory and Computation

Theoretical Characterization of the Air-Stable, High-Mobility Dinaphtho[2,3-b:2′3′-f]thieno[3,2-b]-thiophene Organic Semiconductor

(2010) Roel S. Sánchez-Carrera et al.   Journal of Physical Chemistry C

Quantitatively Analyzing the Influence of Side Chains on Photovoltaic Properties of Polymer−Fullerene Solar Cells

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

Third-Generation Photovoltaic Technology − The Potential for Low-Cost Solar Energy Conversion

(2010) Russell Gaudiana   Journal of Physical Chemistry Letters

Low Band Gap Polymers Based on Benzo[1,2-b:4,5-b′]dithiophene: Rational Design of Polymers Leads to High Photovoltaic Performance

(2010) Samuel C. Price et al.   MACROMOLECULES

Plasmonics for improved photovoltaic devices

(2010) Harry A. Atwater et al.   NATURE MATERIALS

Optical absorption and emission properties of end-capped oligothienoacenes: A joint theoretical and experimental study

(2010) Roel S. Sánchez-Carrera et al.   ORGANIC ELECTRONICS

Engineering a protein-protein interface using a computationally designed library

(2010) G. Guntas et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Development of Novel Conjugated Donor Polymers for High-Efficiency Bulk-Heterojunction Photovoltaic Devices

(2009) Junwu Chen et al.   ACCOUNTS OF CHEMICAL RESEARCH

Molecular Understanding of Organic Solar Cells: The Challenges

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

Effective Variables To Control the Fill Factor of Organic Photovoltaic Cells

(2009) Myung-Su Kim et al.   ACS Applied Materials & Interfaces

Polymer-Fullerene Bulk-Heterojunction Solar Cells

(2009) Gilles Dennler et al.   ADVANCED MATERIALS

Synthesis of Acenaphthyl and Phenanthrene Based Fused-Aromatic Thienopyrazine Co-Polymers for Photovoltaic and Thin Film Transistor Applications

(2009) Rajib Mondal et al.   CHEMISTRY OF MATERIALS

Structure-Based Virtual Ligand Screening: Recent Success Stories

(2009) Bruno Villoutreix et al.   COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING

Organic photovoltaics

(2009) Bernard Kippelen et al.   Energy & Environmental Science

FOG: Fragment Optimized Growth Algorithm for thede NovoGeneration of Molecules Occupying Druglike Chemical Space

(2009) Peter S. Kutchukian et al.   Journal of Chemical Information and Modeling

Highly Efficient Solar Cell Polymers Developed via Fine-Tuning of Structural and Electronic Properties

(2009) Yongye Liang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Regioregular Oligomer and Polymer Containing Thieno[3,4-b]thiophene Moiety for Efficient Organic Solar Cells

(2009) Yongye Liang et al.   MACROMOLECULES

Polymer solar cells with enhanced open-circuit voltage and efficiency

(2009) Hsiang-Yu Chen et al.   Nature Photonics

Bulk heterojunction solar cells with internal quantum efficiency approaching 100%

(2009) Sung Heum Park et al.   Nature Photonics

Combinatorial Materials Sciences: Experimental Strategies for Accelerated Knowledge Discovery

(2008) Krishna Rajan   Annual Review of Materials Research

High-performance polymer heterojunction solar cells of a polysilafluorene derivative

(2008) Ergang Wang et al.   APPLIED PHYSICS LETTERS

High performance organic field-effect transistors based on [2,2′]bi[naphtho[2,3-b]thiophenyl] with a simple structure

(2008) Masashi Mamada et al.   JOURNAL OF MATERIALS CHEMISTRY

Molecular Design of Porphyrin-Based Nonlinear Optical Materials

(2008) Shahar Keinan et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Development of New Semiconducting Polymers for High Performance Solar Cells

(2008) Yongye Liang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

What are decision trees?

(2008) Carl Kingsford et al.   NATURE BIOTECHNOLOGY

Polymer–Fullerene Composite Solar Cells

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

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

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