P3HT:DiPBI bulk heterojunction solar cells: morphology and electronic structure probed by multiscale simulation and UV/vis spectroscopy

Structure of P3HT crystals, thin films, and solutions by UV/Vis spectral analysis

(2015) Marcus Böckmann et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Can Excited Electronic States of Macromolecules with Extended Pi-Systems be Reliably Predicted? A Case Study on P3HT

(2015) Marcus Böckmann et al.   Frontiers in Materials

A Star-Shaped Perylene Diimide Electron Acceptor for High-Performance Organic Solar Cells

(2014) Yuze Lin et al.   ADVANCED MATERIALS

Integrated Molecular, Interfacial, and Device Engineering towards High-Performance Non-Fullerene Based Organic Solar Cells

(2014) Yue Zang et al.   ADVANCED MATERIALS

Perylene–Diimide Based Non-Fullerene Solar Cells with 4.34% Efficiency through Engineering Surface Donor/Acceptor Compositions

(2014) Zhenhuan Lu et al.   CHEMISTRY OF MATERIALS

Testing and validation of the Automated Topology Builder (ATB) version 2.0: prediction of hydration free enthalpies

(2014) Katarzyna B. Koziara et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Efficiency-Limiting Processes in Low-Bandgap Polymer:Perylene Diimide Photovoltaic Blends

(2014) Dominik W. Gehrig et al.   Journal of Physical Chemistry C

Comparing the Device Physics and Morphology of Polymer Solar Cells Employing Fullerenes and Non-Fullerene Acceptors

(2014) Jason T. Bloking et al.   Advanced Energy Materials

Fullerene-free organic solar cells with an efficiency of 3.7% based on a low-cost geometrically planar perylene diimide monomer

(2014) R. Singh et al.   Journal of Materials Chemistry A

Bay-linked perylene bisimides as promising non-fullerene acceptors for organic solar cells

(2013) Wei Jiang et al.   CHEMICAL COMMUNICATIONS

Perspective on the Martini model

(2013) Siewert J. Marrink et al.   CHEMICAL SOCIETY REVIEWS

Charge generation and transport in efficient organic bulk heterojunction solar cells with a perylene acceptor

(2013) Ravichandran Shivanna et al.   Energy & Environmental Science

Going Backward: A Flexible Geometric Approach to Reverse Transformation from Coarse Grained to Atomistic Models

(2013) Tsjerk A. Wassenaar et al.   Journal of Chemical Theory and Computation

Charge Group Partitioning in Biomolecular Simulation

(2013) Stefan Canzar et al.   JOURNAL OF COMPUTATIONAL BIOLOGY

Thermal stability of P3HT and P3HT:PCBM blends in the molten state

(2013) Alexandre Rodrigues et al.   POLYMER TESTING

A polymer tandem solar cell with 10.6% power conversion efficiency

(2013) Jingbi You et al.   Nature Communications

Decacyclene Triimides: Paving the Road to Universal Non-Fullerene Acceptors for Organic Photovoltaics

(2013) Toan V. Pho et al.   Advanced Energy Materials

Molecular Design of Photovoltaic Materials for Polymer Solar Cells: Toward Suitable Electronic Energy Levels and Broad Absorption

(2012) Yongfang Li   ACCOUNTS OF CHEMICAL RESEARCH

Innovative Sensitizer DiPBI Outperforms PCBM

(2012) Katharina Ditte et al.   ADVANCED MATERIALS

High Mobility, Air Stable, Organic Single Crystal Transistors of an n-Type Diperylene Bisimide

(2012) Aifeng Lv et al.   ADVANCED MATERIALS

A Strategy for Revealing the Packing in Semicrystalline π-Conjugated Polymers: Crystal Structure of Bulk Poly-3-hexyl-thiophene (P3HT)

(2012) Dmytro Dudenko et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Regioisomers of Perylenediimide: Synthesis, Photophysical, and Electrochemical Properties

(2012) Ashok Keerthi et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Nonplanar Perylene Diimides as Potential Alternatives to Fullerenes in Organic Solar Cells

(2012) Sridhar Rajaram et al.   Journal of Physical Chemistry Letters

An Automated Force Field Topology Builder (ATB) and Repository: Version 1.0

(2011) Alpeshkumar K. Malde et al.   Journal of Chemical Theory and Computation

Microscopic Simulations of Charge Transport in Disordered Organic Semiconductors

(2011) Victor Rühle et al.   Journal of Chemical Theory and Computation

Multiscale modelling of mesoscopic phenomena triggered by quantum events: light-driven azo-materials and beyond

(2011) Marcus Böckmann et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A multiscale description of charge transport in conjugated oligomers

(2010) Victor Rühle et al.   JOURNAL OF CHEMICAL PHYSICS

A numerical study of mobility in thin films of fullerene derivatives

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

Donor–acceptor block copolymers for photovoltaic applications

(2010) Michael Sommer et al.   JOURNAL OF MATERIALS CHEMISTRY

Molecular Miscibility of Polymer−Fullerene Blends

(2010) Brian A. Collins et al.   Journal of Physical Chemistry Letters

Modeling Charge Transport in Organic Photovoltaic Materials

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

Conjugated-Polymer Blends for Optoelectronics

(2009) Christopher R. McNeill et al.   ADVANCED MATERIALS

Perylene Tetracarboxydiimide as an Electron Acceptor in Organic Solar Cells: A Study of Charge Generation and Recombination

(2009) Ian A. Howard et al.   Journal of Physical Chemistry C

Polymer solar cells: Recent development and possible routes for improvement in the performance

(2009) Wanzhu Cai et al.   SOLAR ENERGY MATERIALS AND SOLAR CELLS