Entanglements in P3HT and their influence on thin-film mechanical properties: Insights from molecular dynamics simulations

Role of Molecular Weight on the Mechanical Device Properties of Organic Polymer Solar Cells

(2014) Christopher Bruner et al.   MACROMOLECULES

Primitive-path statistics of entangled polymers: mapping multi-chain simulations onto single-chain mean-field models

(2014) Rudi J A Steenbakkers et al.   NEW JOURNAL OF PHYSICS

Molecular Intercalation and Cohesion of Organic Bulk Heterojunction Photovoltaic Devices

(2013) Christopher Bruner et al.   ADVANCED FUNCTIONAL MATERIALS

Mechanical Properties of Conjugated Polymers and Polymer-Fullerene Composites as a Function of Molecular Structure

(2013) Suchol Savagatrup et al.   ADVANCED FUNCTIONAL MATERIALS

25th Anniversary Article: A Soft Future: From Robots and Sensor Skin to Energy Harvesters

(2013) Siegfried Bauer et al.   ADVANCED MATERIALS

Stretching and conformal bonding of organic solar cells to hemispherical surfaces

(2013) Timothy F. O'Connor et al.   Energy & Environmental Science

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

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

Thermal and Structural Characteristics of Oligo(3-hexylthiophene)s (3HT)n, n = 4–36

(2013) Felix Peter Vinzenz Koch et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

All-Atom Molecular Dynamics Simulation of Temperature Effects on the Structural, Thermodynamic, and Packing Properties of the Pure Amorphous and Pure Crystalline Phases of Regioregular P3HT

(2013) Orestis Alexiadis et al.   MACROMOLECULES

Effects of Molecular Weight on Microstructure and Carrier Transport in a Semicrystalline Poly(thieno)thiophene

(2013) Andrea Gasperini et al.   MACROMOLECULES

Coarse-grained simulations of the solution-phase self-assembly of poly(3-hexylthiophene) nanostructures

(2013) Kyra N. Schwarz et al.   Nanoscale

Effects of backbone rigidity on the local structure and dynamics in polymer melts and glasses

(2013) Rajeev Kumar et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

New insights into the dynamics and morphology of P3HT:PCBM active layers in bulk heterojunctions

(2013) Jan-Michael Y. Carrillo et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Highly-efficient charge separation and polaron delocalization in polymer–fullerene bulk-heterojunctions: a comparative multi-frequency EPR and DFT study

(2013) Jens Niklas et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Two-dimensional spatial coherence of excitons in semicrystalline polymeric semiconductors: Effect of molecular weight

(2013) Francis Paquin et al.   PHYSICAL REVIEW B

The impact of molecular weight on microstructure and charge transport in semicrystalline polymer semiconductors–poly(3-hexylthiophene), a model study

(2013) Felix Peter Vinzenz Koch et al.   PROGRESS IN POLYMER SCIENCE

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

(2012) Jonathan Rivnay et al.   CHEMICAL REVIEWS

Poly(3-hexylthiophene): synthetic methodologies and properties in bulk heterojunction solar cells

(2012) Assunta Marrocchi et al.   Energy & Environmental Science

Interfacial properties of free-standing poly(3-hexylthiophene) films

(2012) Yeneneh Y. Yimer et al.   JOURNAL OF CHEMICAL PHYSICS

Morphological studies of blends of conjugated polymers and acceptor molecules using langevin dynamics simulations

(2012) Hilary S. Marsh et al.   JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS

On the Role of Single Regiodefects and Polydispersity in Regioregular Poly(3-hexylthiophene): Defect Distribution, Synthesis of Defect-Free Chains, and a Simple Model for the Determination of Crystallinity

(2012) Peter Kohn et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Correlating Stiffness, Ductility, and Morphology of Polymer:Fullerene Films for Solar Cell Applications

(2012) Omar Awartani et al.   Advanced Energy Materials

Stretchable Organic Solar Cells

(2011) Darren J. Lipomi et al.   ADVANCED MATERIALS

Regioregularity and Single Polythiophene Chain Conformation

(2011) Takuji Adachi et al.   Journal of Physical Chemistry Letters

Control of aggregate formation in poly(3-hexylthiophene) by solvent, molecular weight, and synthetic method

(2011) Christina Scharsich et al.   JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS

Determination of Solubility Parameters for Organic Semiconductor Formulations

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

A Phase Diagram of the P3HT:PCBM Organic Photovoltaic System: Implications for Device Processing and Performance

(2011) Paul E. Hopkinson et al.   MACROMOLECULES

Cohesion and device reliability in organic bulk heterojunction photovoltaic cells

(2011) Vitali Brand et al.   SOLAR ENERGY MATERIALS AND SOLAR CELLS

Interlayer adhesion in roll-to-roll processed flexible inverted polymer solar cells

(2011) Stephanie R. Dupont et al.   SOLAR ENERGY MATERIALS AND SOLAR CELLS

Correlations between Mechanical and Electrical Properties of Polythiophenes

(2010) Brendan O’Connor et al.   ACS Nano

Modified conformation and physical properties in conducting polymers due to varying conjugation and solvent interactions

(2010) Paramita Kar Choudhury et al.   JOURNAL OF MATERIALS CHEMISTRY

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

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

Mechanical Buckling: Mechanics, Metrology, and Stretchable Electronics

(2009) Dahl-Young Khang et al.   ADVANCED FUNCTIONAL MATERIALS

Combined Molecular Algorithms for the Generation, Equilibration and Topological Analysis of Entangled Polymers: Methodology and Performance

(2009) Nikos Ch. Karayiannis et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

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

Importance of Side Chains and Backbone Length in Defect Modeling of Poly(3-alkylthiophenes)

(2009) Seth B. Darling et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Phase Diagram of P3HT/PCBM Blends and Its Implication for the Stability of Morphology

(2009) Jun Zhao et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Elastic Moduli of Organic Electronic Materials by the Buckling Method

(2009) Dongha Tahk et al.   MACROMOLECULES

Influence of Molecular Weight Distribution on the Gelation of P3HT and Its Impact on the Photovoltaic Performance

(2009) Markus Koppe et al.   MACROMOLECULES

Topological analysis of polymeric melts: Chain-length effects and fast-converging estimators for entanglement length

(2009) Robert S. Hoy et al.   PHYSICAL REVIEW E

Coherent Intrachain Energy Migration in a Conjugated Polymer at Room Temperature

(2009) E. Collini et al.   SCIENCE

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

Semiconductor Wires and Ribbons for High- Performance Flexible Electronics

(2008) Alfred J. Baca et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION