Suppressing Energy Loss due to Triplet Exciton Formation in Organic Solar Cells: The Role of Chemical Structures and Molecular Packing

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

Ionization Energies, Electron Affinities, and Polarization Energies of Organic Molecular Crystals: Quantitative Estimations from a Polarizable Continuum Model (PCM)-Tuned Range-Separated Density Functional Approach

(2016) Haitao Sun et al.   Journal of Chemical Theory and Computation

Suppressing Subnanosecond Bimolecular Charge Recombination in a High-Performance Organic Photovoltaic Material

(2016) Kyra N. Schwarz et al.   Journal of Physical Chemistry C

Charge Separation and Recombination at Polymer–Fullerene Heterojunctions: Delocalization and Hybridization Effects

(2016) Gabriele D’Avino et al.   Journal of Physical Chemistry Letters

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

Effect of Molecular Packing and Charge Delocalization on the Nonradiative Recombination of Charge-Transfer States in Organic Solar Cells

(2016) Xian-Kai Chen et al.   Advanced Energy Materials

Using dispersion-corrected density functional theory to understand supramolecular binding thermodynamics

(2015) Jens Antony et al.   CHEMICAL COMMUNICATIONS

Sub-ns triplet state formation by non-geminate recombination in PSBTBT:PC70BM and PCPDTBT:PC60BM organic solar cells

(2015) Fabian Etzold et al.   Energy & Environmental Science

Charge Carrier Generation Followed by Triplet State Formation, Annihilation, and Carrier Recreation in PBDTTT-C/PC60BM Photovoltaic Blends

(2015) Dominik W. Gehrig et al.   Journal of Physical Chemistry C

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

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

Conformational Order in Aggregates of Conjugated Polymers

(2015) Nicholas E. Jackson et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Spin-dependent charge transfer state design rules in organic photovoltaics

(2015) Wendi Chang et al.   Nature Communications

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

Organic Electronic Materials: Recent Advances in the DFT Description of the Ground and Excited States Using Tuned Range-Separated Hybrid Functionals

(2014) Thomas Körzdörfer et al.   ACCOUNTS OF CHEMICAL RESEARCH

First Principles Calculations of Charge Transfer Excitations in Polymer-Fullerene Complexes: Influence of Excess Energy

(2014) Dorota Niedzialek et al.   ADVANCED FUNCTIONAL MATERIALS

Recombination pathways in polymer:fullerene photovoltaics observed through spin polarization measurements

(2014) Marc K. Etherington et al.   APPLIED PHYSICS LETTERS

Quantitative Bimolecular Recombination in Organic Photovoltaics through Triplet Exciton Formation

(2014) Philip C. Y. Chow et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Re-evaluating the Role of Sterics and Electronic Coupling in Determining the Open-Circuit Voltage of Organic Solar Cells

(2013) Kenneth R. Graham et al.   ADVANCED MATERIALS

Characterization of Biaryl Torsional Energetics and its Treatment in OPLS All-Atom Force Fields

(2013) Markus K. Dahlgren et al.   Journal of Chemical Information and Modeling

Controlling Conformations of Conjugated Polymers and Small Molecules: The Role of Nonbonding Interactions

(2013) Nicholas E. Jackson et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The role of spin in the kinetic control of recombination in organic photovoltaics

(2013) Akshay Rao et al.   NATURE

Efficient charge generation by relaxed charge-transfer states at organic interfaces

(2013) Koen Vandewal et al.   NATURE MATERIALS

Effects of London dispersion correction in density functional theory on the structures of organic molecules in the gas phase

(2013) Stefan Grimme et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Charge carrier recombination in organic solar cells

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

Ultrafast Long-Range Charge Separation in Organic Semiconductor Photovoltaic Diodes

(2013) S. Gelinas et al.   SCIENCE

Excitation Gaps of Finite-Sized Systems from Optimally Tuned Range-Separated Hybrid Functionals

(2012) Leeor Kronik et al.   Journal of Chemical Theory and Computation

Polymer Triplet Energy Levels Need Not Limit Photocurrent Collection in Organic Solar Cells

(2012) Cody W. Schlenker et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Lowest excited states and optical absorption spectra of donor–acceptor copolymers for organic photovoltaics: a new picture emerging from tuned long-range corrected density functionals

(2012) Laxman Pandey et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Recombination in Polymer:Fullerene Solar Cells with Open-Circuit Voltages Approaching and Exceeding 1.0 V

(2012) Eric T. Hoke et al.   Advanced Energy Materials

Communication: Orbital instabilities and triplet states from time-dependent density functional theory and long-range corrected functionals

(2011) John S. Sears et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular Understanding of the Open-Circuit Voltage of Polymer:Fullerene Solar Cells

(2011) Shunsuke Yamamoto et al.   Advanced Energy Materials

Improved Film Morphology Reduces Charge Carrier Recombination into the Triplet Excited State in a Small Bandgap Polymer-Fullerene Photovoltaic Cell

(2010) Daniele Di Nuzzo et al.   ADVANCED MATERIALS

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

Exciton Fission and Charge Generation via Triplet Excitons in Pentacene/C60Bilayers

(2010) Akshay Rao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

The Energy of Charge-Transfer States in Electron Donor-Acceptor Blends: Insight into the Energy Losses in Organic Solar Cells

(2009) Dirk Veldman et al.   ADVANCED FUNCTIONAL MATERIALS

Magnetic-Field Effects in Organic Semiconducting Materials and Devices

(2009) Bin Hu et al.   ADVANCED MATERIALS

Reliable Prediction of Charge Transfer Excitations in Molecular Complexes Using Time-Dependent Density Functional Theory

(2009) Tamar Stein et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Electroluminescence from Charge Transfer States in Polymer Solar Cells

(2009) Kristofer Tvingstedt et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Polymer solar cells with enhanced open-circuit voltage and efficiency

(2009) Hsiang-Yu Chen et al.   Nature Photonics

Bulk heterojunction solar cells with internal quantum efficiency approaching 100%

(2009) Sung Heum Park et al.   Nature Photonics