Tying Together Multiscale Calculations for Charge Transport in P3HT: Structural Descriptors, Morphology, and Tie-Chains

Understanding morphology-mobility dependence in PEDOT:Tos

(2018) Nicolas Rolland et al.   PHYSICAL REVIEW MATERIALS

Substrate-Dependent Morphology and Its Effect on Electrical Mobility of Doped Poly(3,4-ethylenedioxythiophene) (PEDOT) Thin Films

(2018) Juan Felipe Franco-Gonzalez et al.   ACS Applied Materials & Interfaces

Organic and solution-processed tandem solar cells with 17.3% efficiency

(2018) Lingxian Meng et al.   SCIENCE

Optimization and Validation of Efficient Models for Predicting Polythiophene Self-Assembly

(2018) Evan Miller et al.   Polymers

Computationally connecting organic photovoltaic performance to atomistic arrangements and bulk morphology

(2017) Matthew L. Jones et al.   MOLECULAR SIMULATION

Relating Molecular Morphology to Charge Mobility in Semicrystalline Conjugated Polymers

(2016) M. L. Jones et al.   Journal of Physical Chemistry C

The future of organic photovoltaics

(2015) Katherine A. Mazzio et al.   CHEMICAL SOCIETY REVIEWS

Complementary Semiconducting Polymer Blends for Efficient Charge Transport

(2015) Yan Zhao et al.   CHEMISTRY OF MATERIALS

XSEDE: Accelerating Scientific Discovery

(2014) John Towns et al.   COMPUTING IN SCIENCE & ENGINEERING

Charge Diffusion in Semiconducting Polymers: Analytical Relation between Polymer Rigidity and Time Scales for Intrachain and Interchain Hopping

(2014) Paola Carbone et al.   Journal of Physical Chemistry Letters

Theory of charge hopping along a disordered polymer chain

(2014) Rocco P. Fornari et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Are hot charge transfer states the primary cause of efficient free-charge generation in polymer:fullerene organic photovoltaic devices? A kinetic Monte Carlo study

(2014) Matthew L. Jones et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Improved Force Field for Molecular Modeling of Poly(3-hexylthiophene)

(2013) Ram S. Bhatta et al.   JOURNAL OF PHYSICAL CHEMISTRY B

A general relationship between disorder, aggregation and charge transport in conjugated polymers

(2013) Rodrigo Noriega et al.   NATURE MATERIALS

Anisotropic Charge Transport in Spherulitic Poly(3-hexylthiophene) Films

(2012) Edward J. W. Crossland et al.   ADVANCED MATERIALS

Morphology characterization in organic and hybrid solar cells

(2012) Wei Chen et al.   Energy & Environmental Science

Mechanism of Mobile Charge Carrier Generation in Blends of Conjugated Polymers and Fullerenes: Significance of Charge Delocalization and Excess Free Energy

(2012) D. H. K. Murthy et al.   Journal of Physical Chemistry C

P3HT:PCBM, Best Seller in Polymer Photovoltaic Research

(2011) Minh Trung Dang et al.   ADVANCED MATERIALS

Solar cells with one-day energy payback for the factories of the future

(2011) Nieves Espinosa et al.   Energy & Environmental Science

Relation between Microstructure and Charge Transport in Polymers of Different Regioregularity

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

Heterojunction Organic Photovoltaic Cells as Molecular Heat Engines: A Simple Model for the Performance Analysis

(2011) Mario Einax et al.   Journal of Physical Chemistry C

Polymeric solar cells based on P3HT:PCBM: Role of the casting solvent

(2011) Minh Trung Dang et al.   SOLAR ENERGY MATERIALS AND SOLAR CELLS

Effects of Thermal Annealing Upon the Morphology of Polymer-Fullerene Blends

(2010) Eric Verploegen et al.   ADVANCED FUNCTIONAL MATERIALS

The Impact of Polymer Regioregularity on Charge Transport and Efficiency of P3HT:PCBM Photovoltaic Devices

(2010) Ralf Mauer et al.   ADVANCED FUNCTIONAL MATERIALS

Simulation of loss mechanisms in organic solar cells: A description of the mesoscopic Monte Carlo technique and an evaluation of the first reaction method

(2010) Chris Groves et al.   JOURNAL OF CHEMICAL PHYSICS

Multiscale study of charge mobility of organic semiconductor with dynamic disorders

(2010) Linjun Wang et al.   PHYSICAL CHEMISTRY CHEMICAL 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

Computational Study of the Structure and Charge-Transfer Parameters in Low-Molecular-Mass P3HT

(2009) David L. Cheung et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Analysis of Transient Currents in Organic Field Effect Transistor: The Time-of-Flight Method

(2009) Martin Weis et al.   Journal of Physical Chemistry C

Effect of Annealing Solvent Solubility on the Performance of Poly(3-hexylthiophene)/Methanofullerene Solar Cells

(2009) Jong Hwan Park et al.   Journal of Physical Chemistry C

The Effect of Poly(3-hexylthiophene) Molecular Weight on Charge Transport and the Performance of Polymer:Fullerene Solar Cells

(2008) Amy M. Ballantyne et al.   ADVANCED FUNCTIONAL MATERIALS

A Theoretical Study of the Charge Transfer Behavior of the Highly Regioregular Poly-3-hexylthiophene in the Ordered State

(2008) Yi-Kang Lan et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Effect of temperature on the morphological and photovoltaic stability of bulk heterojunction polymer:fullerene solar cells

(2008) Sabine Bertho et al.   SOLAR ENERGY MATERIALS AND SOLAR CELLS