The Evidence for Fullerene Aggregation in High-Performance Small-Molecule Solar Cells by Molecular Dynamics Simulation

Structure and Disorder in Squaraine-C60Organic Solar Cells: A Theoretical Description of Molecular Packing and Electronic Coupling at the Donor-Acceptor Interface

(2014) Yao-Tsung Fu et al.   ADVANCED FUNCTIONAL MATERIALS

From Chiral Islands to Smectic Layers: A Computational Journey Across Sexithiophene Morphologies on C60

(2014) Gabriele D'Avino et al.   ADVANCED FUNCTIONAL MATERIALS

The Active Layer Morphology of Organic Solar Cells Probed with Grazing Incidence Scattering Techniques

(2014) Peter Müller-Buschbaum   ADVANCED MATERIALS

Bimolecular Recombination in Organic Photovoltaics

(2014) Girish Lakhwani et al.   Annual Review of Physical Chemistry

Impact of the Electron-Transport Layer on the Performance of Solution-Processed Small-Molecule Organic Solar Cells

(2014) Guankui Long et al.   ChemSusChem

Nanomorphology Evolution of P3HT/PCBM Blends during Solution-Processing from Coarse-Grained Molecular Simulations

(2014) Cheng-Kuang Lee et al.   Journal of Physical Chemistry C

Relationship between Interchain Interaction, Exciton Delocalization, and Charge Separation in Low-Bandgap Copolymer Blends

(2014) Zhi Guo et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Silaindacenodithiophene-Based Molecular Donor: Morphological Features and Use in the Fabrication of Compositionally Tolerant, High-Efficiency Bulk Heterojunction Solar Cells

(2014) John A. Love et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Solution-Processed Organic Solar Cells Based on Dialkylthiol-Substituted Benzodithiophene Unit with Efficiency near 10%

(2014) Bin Kan et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Unequal Partnership: Asymmetric Roles of Polymeric Donor and Fullerene Acceptor in Generating Free Charge

(2014) Brett M. Savoie et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Small-molecule solar cells with efficiency over 9%

(2014) Qian Zhang et al.   Nature Photonics

Charge generation in polymer–fullerene bulk-heterojunction solar cells

(2014) Feng Gao et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

When Electrons Leave Holes in Organic Solar Cells

(2014) J.-L. Bredas   SCIENCE

π-Extended Narrow-Bandgap Diketopyrrolopyrrole-Based Oligomers for Solution-Processed Inverted Organic Solar Cells

(2014) Woong Shin et al.   Advanced Energy Materials

High Performance Photovoltaic Applications Using Solution-Processed Small Molecules

(2013) Yongsheng Chen et al.   ACCOUNTS OF CHEMICAL RESEARCH

Design and Synthesis of Molecular Donors for Solution-Processed High-Efficiency Organic Solar Cells

(2013) Jessica E. Coughlin et al.   ACCOUNTS OF CHEMICAL RESEARCH

Intensity Dependence of Current–Voltage Characteristics and Recombination in High-Efficiency Solution-Processed Small-Molecule Solar Cells

(2013) Aung Ko Ko Kyaw et al.   ACS Nano

Charge Photogeneration for a Series of Thiazolo-Thiazole Donor Polymers Blended with the Fullerene Electron Acceptors PCBM and ICBA

(2013) Safa Shoaee et al.   ADVANCED FUNCTIONAL MATERIALS

Photovoltaic Function and Exciton/Charge Transfer Dynamics in a Highly Efficient Semiconducting Copolymer

(2013) Jodi M. Szarko et al.   ADVANCED FUNCTIONAL MATERIALS

Efficient Solution-Processed Small-Molecule Solar Cells with Inverted Structure

(2013) Aung Ko Ko Kyaw et al.   ADVANCED MATERIALS

Fullerene Derivative-Doped Zinc Oxide Nanofilm as the Cathode of Inverted Polymer Solar Cells with Low-Bandgap Polymer (PTB7-Th) for High Performance

(2013) Sih-Hao Liao et al.   ADVANCED MATERIALS

High Open-Circuit Voltages: Evidence for a Sensitizer-Induced TiO2 Conduction Band Shift in Ru(II)-Dye Sensitized Solar Cells

(2013) Thomas Moehl et al.   CHEMISTRY OF MATERIALS

Characterization of Biaryl Torsional Energetics and its Treatment in OPLS All-Atom Force Fields

(2013) Markus K. Dahlgren et al.   Journal of Chemical Information and Modeling

Role of Adsorption Structures of Zn-Porphyrin on TiO2 in Dye-Sensitized Solar Cells Studied by Sum Frequency Generation Vibrational Spectroscopy and Ultrafast Spectroscopy

(2013) Shen Ye et al.   Journal of Physical Chemistry C

Universal Correlation between Fibril Width and Quantum Efficiency in Diketopyrrolopyrrole-Based Polymer Solar Cells

(2013) Weiwei Li et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Solution-Processed and High-Performance Organic Solar Cells Using Small Molecules with a Benzodithiophene Unit

(2013) Jiaoyan Zhou et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Computationally Linking Molecular Features of Conjugated Polymers and Fullerene Derivatives to Bulk Heterojunction Morphology

(2013) Eric Jankowski et al.   MACROMOLECULES

The role of spin in the kinetic control of recombination in organic photovoltaics

(2013) Akshay Rao et al.   NATURE

Modelling of P3HT:PCBM interface using coarse-grained forcefield derived from accurate atomistic forcefield

(2013) T. T. To et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Ultrafast Long-Range Charge Separation in Organic Semiconductor Photovoltaic Diodes

(2013) S. Gelinas et al.   SCIENCE

Investigation of Quinquethiophene Derivatives with Different End Groups for High Open Circuit Voltage Solar Cells

(2013) Guankui Long et al.   Advanced Energy Materials

Barium: An Efficient Cathode Layer for Bulk-heterojunction Solar Cells

(2013) Vinay Gupta et al.   Scientific Reports

Small Molecule Organic Semiconductors on the Move: Promises for Future Solar Energy Technology

(2012) Amaresh Mishra et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Small molecule semiconductors for high-efficiency organic photovoltaics

(2012) Yuze Lin et al.   CHEMICAL SOCIETY REVIEWS

Molecular Dynamics Simulations of Organic Photovoltaic Materials: Structure and Dynamics of Oligothiophene

(2012) S. Y. Reddy et al.   Journal of Physical Chemistry C

Enhanced power-conversion efficiency in polymer solar cells using an inverted device structure

(2012) Zhicai He et al.   Nature Photonics

Competition between Fullerene Aggregation and Poly(3-hexylthiophene) Crystallization upon Annealing of Bulk Heterojunction Solar Cells

(2011) Wei-Ru Wu et al.   ACS Nano

Examining the Effect of the Dipole Moment on Charge Separation in Donor–Acceptor Polymers for Organic Photovoltaic Applications

(2011) Bridget Carsten et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Fullerenecrystallisation as a key driver of charge separation in polymer/fullerene bulk heterojunction solar cells

(2011) Fiona C. Jamieson et al.   Chemical Science

Solution Processable Rhodanine-Based Small Molecule Organic Photovoltaic Cells with a Power Conversion Efficiency of 6.1%

(2011) Zhi Li et al.   Advanced Energy Materials

Small Molecule Solution-Processed Bulk Heterojunction Solar Cells†

(2010) Bright Walker et al.   CHEMISTRY OF MATERIALS

On the Structure of Ionic Liquids: Comparisons between Electronically Polarizable and Nonpolarizable Models I

(2010) Tianying Yan et al.   JOURNAL OF PHYSICAL CHEMISTRY B

What is the Origin of the Prepeak in the X-ray Scattering of Imidazolium-Based Room-Temperature Ionic Liquids?

(2010) Harsha V. R. Annapureddy et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Theoretical Study of the Organic Photovoltaic Electron Acceptor PCBM: Morphology, Electronic Structure, and Charge Localization

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

A comparative MD study of the local structure of polymer semiconductors P3HT and PBTTT

(2010) Khanh Do et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Computational methods for design of organic materials with high charge mobility

(2009) Linjun Wang et al.   CHEMICAL SOCIETY REVIEWS

Dynamic Monte Carlo Simulation for Highly Efficient Polymer Blend Photovoltaics

(2009) Lingyi Meng et al.   JOURNAL OF PHYSICAL CHEMISTRY B

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation