Charge-Transfer States at Organic-Organic Interfaces: Impact of Static and Dynamic Disorders

Impact of Nonfullerene Molecular Architecture on Charge Generation, Transport, and Morphology in PTB7-Th-Based Organic Solar Cells

(2018) Xueping Yi et al.   ADVANCED FUNCTIONAL MATERIALS

Dielectric Screening Meets Optimally Tuned Density Functionals

(2018) Leeor Kronik et al.   ADVANCED MATERIALS

Long-lived, Non-Geminate, Radiative Recombination of Photogenerated Charges in a Polymer:Small-Molecule Acceptor Photovoltaic Blend

(2018) Mark E Ziffer et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Design rules for minimizing voltage losses in high-efficiency organic solar cells

(2018) Deping Qian et al.   NATURE MATERIALS

Progress in Poly (3-Hexylthiophene) Organic Solar Cells and the Influence of Its Molecular Weight on Device Performance

(2018) Andrew Wadsworth et al.   Advanced Energy Materials

On the Molecular Origin of Charge Separation at the Donor-Acceptor Interface

(2018) Gjergji Sini et al.   Advanced Energy Materials

On the understanding of energetic disorder, charge recombination and voltage losses in all-polymer solar cells

(2018) Ao Yin et al.   Journal of Materials Chemistry C

How to interpret absorption and fluorescence spectra of charge transfer states in an organic solar cell

(2018) Frank-Julian Kahle et al.   Materials Horizons

Donor Conjugated Polymers with Polar Side Chain Groups: The Role of Dielectric Constant and Energetic Disorder on Photovoltaic Performance

(2018) Bing Xu et al.   ADVANCED FUNCTIONAL MATERIALS

The Impact of Driving Force and Temperature on the Electron Transfer in Donor–Acceptor Blend Systems

(2017) Thomas Unger et al.   Journal of Physical Chemistry C

Effect of Solid-State Polarization on Charge-Transfer Excitations and Transport Levels at Organic Interfaces from a Screened Range-Separated Hybrid Functional

(2017) Zilong Zheng et al.   Journal of Physical Chemistry Letters

Interfacial disorder in efficient polymer solar cells: the impact of donor molecular structure and solvent additives

(2017) Nakul Jain et al.   Journal of Materials Chemistry A

Intrinsic non-radiative voltage losses in fullerene-based organic solar cells

(2017) Johannes Benduhn et al.   Nature Energy

Plasmonic nanomeshes: their ambivalent role as transparent electrodes in organic solar cells

(2017) Christian Stelling et al.   Scientific Reports

Impact of the Nature of the Side-Chains on the Polymer-Fullerene Packing in the Mixed Regions of Bulk Heterojunction Solar Cells

(2016) Tonghui Wang et al.   ADVANCED FUNCTIONAL MATERIALS

Interfacial Charge Transfer States in Condensed Phase Systems

(2016) Koen Vandewal   Annual Review of Physical Chemistry

Nature of the Binding Interactions between Conjugated Polymer Chains and Fullerenes in Bulk Heterojunction Organic Solar Cells

(2016) Mahesh Kumar Ravva et al.   CHEMISTRY OF MATERIALS

Packing and Disorder in Substituted Fullerenes

(2016) Naga Rajesh Tummala et al.   Journal of Physical Chemistry C

Description of the Charge Transfer States at the Pentacene/C60 Interface: Combining Range-Separated Hybrid Functionals with the Polarizable Continuum Model

(2016) Zilong Zheng et al.   Journal of Physical Chemistry Letters

Correlation of energy disorder and open-circuit voltage in hybrid perovskite solar cells

(2016) Yuchuan Shao et al.   Nature Energy

Roles of Energy/Charge Cascades and Intermixed Layers at Donor/Acceptor Interfaces in Organic Solar Cells

(2016) Kyohei Nakano et al.   Scientific Reports

Non-Fullerene Electron Acceptors for Use in Organic Solar Cells

(2015) Christian B. Nielsen et al.   ACCOUNTS OF CHEMICAL RESEARCH

Static and Dynamic Energetic Disorders in the C60, PC61BM, C70, and PC71BM Fullerenes

(2015) Naga Rajesh Tummala et al.   Journal of Physical Chemistry Letters

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

(2015) Naga Rajesh Tummala et al.   JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS

Beyond Langevin Recombination: How Equilibrium Between Free Carriers and Charge Transfer States Determines the Open-Circuit Voltage of Organic Solar Cells

(2015) Timothy M. Burke et al.   Advanced Energy Materials

Quantifying Losses in Open-Circuit Voltage in Solution-Processable Solar Cells

(2015) Jizhong Yao et al.   Physical Review Applied

P3HT:PCBM Bulk-Heterojunctions: Observing Interfacial and Charge Transfer States with Surface Photovoltage Spectroscopy

(2014) Frank E. Osterloh et al.   Journal of Physical Chemistry C

Quantification of energy losses in organic solar cells from temperature-dependent device characteristics

(2013) Ulrich Hörmann et al.   PHYSICAL REVIEW B

Charge carrier recombination in organic solar cells

(2013) Christopher M. Proctor et al.   PROGRESS IN POLYMER SCIENCE

Insights from Transient Optoelectronic Analyses on the Open-Circuit Voltage of Organic Solar Cells

(2012) Dan Credgington et al.   Journal of Physical Chemistry Letters

The Role of Driving Energy and Delocalized States for Charge Separation in Organic Semiconductors

(2012) A. A. Bakulin et al.   SCIENCE

Discriminating between Bilayer and Bulk Heterojunction Polymer:Fullerene Solar Cells Using the External Quantum Efficiency

(2011) Veronique S. Gevaerts et al.   ACS Applied Materials & Interfaces

Transient Absorption Imaging of P3HT:PCBM Photovoltaic Blend: Evidence For Interfacial Charge Transfer State

(2011) Giulia Grancini et al.   Journal of Physical Chemistry Letters

Photoconductivity measurements of the electronic structure of organic solar cells

(2011) R. A. Street et al.   PHYSICAL REVIEW B

Role of the Charge Transfer State in Organic Donor-Acceptor Solar Cells

(2010) Carsten Deibel et al.   ADVANCED MATERIALS

Tuned Range-Separated Hybrids in Density Functional Theory

(2010) Roi Baer et al.   Annual Review of Physical Chemistry

Interaction of Charge Carriers with Lattice Vibrations in Oligoacene Crystals from Naphthalene to Pentacene

(2010) Roel S. Sánchez-Carrera et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Effect of Annealing on P3HT:PCBM Charge Transfer and Nanoscale Morphology Probed by Ultrafast Spectroscopy

(2010) R. Alex Marsh et al.   NANO LETTERS

Relating the open-circuit voltage to interface molecular properties of donor:acceptor bulk heterojunction solar cells

(2010) Koen Vandewal et al.   PHYSICAL REVIEW B

Molecular Understanding of Organic Solar Cells: The Challenges

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

Reappraising the Need for Bulk Heterojunctions in Polymer−Fullerene Photovoltaics: The Role of Carrier Transport in All-Solution-Processed P3HT/PCBM Bilayer Solar Cells

(2009) Alexander L. Ayzner et al.   Journal of Physical Chemistry C

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

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