Materials-Scale Implications of Solvent and Temperature on [6,6]-Phenyl-C61-butyric Acid Methyl Ester (PCBM): A Theoretical Perspective

Exploring the Energy Landscape of the Charge Transport Levels in Organic Semiconductors at the Molecular Scale

(2012) J. Cornil et al.   ACCOUNTS OF CHEMICAL RESEARCH

Self-Assembly of Selective Interfaces in Organic Photovoltaics

(2012) Scott A. Mauger et al.   ADVANCED FUNCTIONAL MATERIALS

Intermixing at the Pentacene-Fullerene Bilayer Interface: A Molecular Dynamics Study

(2012) Yao-Tsung Fu et al.   ADVANCED MATERIALS

Use of X-Ray Diffraction, Molecular Simulations, and Spectroscopy to Determine the Molecular Packing in a Polymer-Fullerene Bimolecular Crystal

(2012) Nichole Cates Miller et al.   ADVANCED MATERIALS

Quantitative Determination of Organic Semiconductor Microstructure from the Molecular to Device Scale

(2012) Jonathan Rivnay et al.   CHEMICAL REVIEWS

High efficiency polymer solar cells based on poly(3-hexylthiophene)/indene-C70 bisadduct with solvent additive

(2012) Xia Guo et al.   Energy & Environmental Science

Molecular dynamics simulations of the solvent- and thermal history-dependent structure of the PCBM fullerene derivative

(2012) Francesco Frigerio et al.   JOURNAL OF MATERIALS CHEMISTRY

Charge transport in amorphous and smectic mesophases of dicyanovinyl-substituted oligothiophenes

(2012) Manuel Schrader et al.   JOURNAL OF MATERIALS CHEMISTRY

Solvated Crystals Based on [6,6]-Phenyl-C61-butyric Acid Methyl Ester (PCBM) with the Hexagonal Structure and Their Phase Transformation

(2012) Lidong Zheng et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Molecular solubility and hansen solubility parameters for the analysis of phase separation in bulk heterojunctions

(2012) Duc T. Duong et al.   JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS

Three-Dimensional Packing Structure and Electronic Properties of Biaxially Oriented Poly(2,5-bis(3-alkylthiophene-2-yl)thieno[3,2-b]thiophene) Films

(2012) Eunkyung Cho et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Determination of the P3HT:PCBM solubility parameters via a binary solvent gradient method: Impact of solubility on the photovoltaic performance

(2012) Florian Machui et al.   SOLAR ENERGY MATERIALS AND SOLAR CELLS

Different interface orientations of pentacene and PTCDA induce different degrees of disorder

(2012) Angela Poschlad et al.   Nanoscale Research Letters

Effect of Trace Solvent on the Morphology of P3HT:PCBM Bulk Heterojunction Solar Cells

(2011) Lilian Chang et al.   ADVANCED FUNCTIONAL MATERIALS

Solvent Additive Control of Morphology and Crystallization in Semiconducting Polymer Blends

(2011) Xueliang Liu et al.   ADVANCED MATERIALS

Anisotropic molecular packing of soluble C60 fullerenes in hexagonal nanocrystals obtained by solvent vapor annealing

(2011) Renato Colle et al.   CARBON

Solution-Processed Organic Solar Cells with Power Conversion Efficiencies of 2.5% using Benzothiadiazole/Imide-Based Acceptors

(2011) Jason T. Bloking et al.   CHEMISTRY OF MATERIALS

Multiscale molecular simulations of the nanoscale morphologies of P3HT:PCBM blends for bulk heterojunction organic photovoltaic cells

(2011) Cheng-Kuang Lee et al.   Energy & Environmental Science

Why Holes and Electrons Separate So Well in Polymer/Fullerene Photovoltaic Cells

(2011) David P. McMahon et al.   Journal of Physical Chemistry Letters

Steric Control of the Donor/Acceptor Interface: Implications in Organic Photovoltaic Charge Generation

(2011) Thomas W. Holcombe et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Determination of Solubility Parameters for Organic Semiconductor Formulations

(2011) Florian Machui et al.   MACROMOLECULAR CHEMISTRY AND PHYSICS

Structural variability and dynamics of the P3HT/PCBM interface and its effects on the electronic structure and the charge-transfer rates in solar cells

(2011) Tao Liu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A quantum-chemical perspective into low optical-gap polymers for highly-efficient organic solar cells

(2011) Chad Risko et al.   Chemical Science

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

(2011) Fiona C. Jamieson 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

Improved Performance of Polymer Bulk Heterojunction Solar Cells Through the Reduction of Phase Separation via Solvent Additives

(2010) Corey V. Hoven et al.   ADVANCED MATERIALS

n-Type Organic Semiconductors in Organic Electronics

(2010) John E. Anthony et al.   ADVANCED MATERIALS

A numerical study of mobility in thin films of fullerene derivatives

(2010) Roderick C. I. MacKenzie et al.   JOURNAL OF CHEMICAL PHYSICS

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

Characterizing Morphology in Bulk Heterojunction Organic Photovoltaic Systems

(2010) Rajiv Giridharagopal et al.   Journal of Physical Chemistry Letters

Fullerene C60: Surface Energy and Interfacial Interactions in Aqueous Systems

(2010) Xin Ma et al.   LANGMUIR

Micron-sized [6,6]-phenyl C61 butyric acid methyl ester crystals grown by dip coating in solvent vapour atmosphere: interfaces for organic photovoltaics

(2010) R. Dabirian et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A Small Molecule Non-fullerene Electron Acceptor for Organic Solar Cells

(2010) Paul E. Schwenn et al.   Advanced Energy Materials

Critical Interfaces in Organic Solar Cells and Their Influence on the Open-Circuit Voltage

(2009) William J. Potscavage et al.   ACCOUNTS OF CHEMICAL RESEARCH

Modeling Charge Transport in Organic Photovoltaic Materials

(2009) Jenny Nelson et al.   ACCOUNTS OF CHEMICAL RESEARCH

Molecular Understanding of Organic Solar Cells: The Challenges

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

Modeling Polymer Dielectric/Pentacene Interfaces: On the Role of Electrostatic Energy Disorder on Charge Carrier Mobility

(2009) Nicolas G. Martinelli et al.   ADVANCED FUNCTIONAL MATERIALS

Device Performance of APFO-3/PCBM Solar Cells with Controlled Morphology

(2009) Cecilia M. Björström Svanström et al.   ADVANCED MATERIALS

Organic photovoltaics

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

Study of electrical performance and stability of solution-processed n-channel organic field-effect transistors

(2009) Shree Prakash Tiwari et al.   JOURNAL OF APPLIED PHYSICS

Coarse-Grained Computer Simulations of Polymer/Fullerene Bulk Heterojunctions for Organic Photovoltaic Applications

(2009) David M. Huang et al.   Journal of Chemical Theory and Computation

The Effect of Morphology on Electron Field-Effect Mobility in Disordered C60 Thin Films

(2009) Joe J. Kwiatkowski et al.   NANO LETTERS

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

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

Morphology evolution via self-organization and lateral and vertical diffusion in polymer:fullerene solar cell blends

(2008) Mariano Campoy-Quiles et al.   NATURE MATERIALS

Effect of packing on the cohesive and electronic properties of methanofullerene crystals

(2008) J. M. Nápoles-Duarte et al.   PHYSICAL REVIEW B

Polymer–Fullerene Composite Solar Cells

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

Investigation of nanoscale morphological changes in organic photovoltaics during solvent vapor annealing

(2007) Steve Miller et al.   JOURNAL OF MATERIALS CHEMISTRY