Regimes of Exciton Transport in Molecular Crystals in the Presence of Dynamic Disorder

The Transient Localization Scenario for Charge Transport in Crystalline Organic Materials

(2016) Simone Fratini et al.   ADVANCED FUNCTIONAL MATERIALS

A-D-A-Type Oligothiophenes for Small Molecule Organic Solar Cells: Extending the π-System by Introduction of Ring-Locked Double Bonds

(2015) Roland Fitzner et al.   ADVANCED FUNCTIONAL MATERIALS

Excitonic couplings between molecular crystal pairs by a multistate approximation

(2015) Juan Aragó et al.   JOURNAL OF CHEMICAL PHYSICS

A very general rate expression for charge hopping in semiconducting polymers

(2015) Rocco P. Fornari et al.   JOURNAL OF CHEMICAL PHYSICS

Spectroscopic Properties of Naphthalene on the Surface of Ice Grains Revisited: A Combined Experimental–Computational Approach

(2015) Ján Krausko et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Intermolecular Vibrational Modes Speed Up Singlet Fission in Perylenediimide Crystals

(2015) Nicolas Renaud et al.   Journal of Physical Chemistry Letters

Temporal Fluctuations in Excimer-Like Interactions between π-Conjugated Chromophores

(2015) Thomas Stangl et al.   Journal of Physical Chemistry Letters

A Series of Simple Oligomer-like Small Molecules Based on Oligothiophenes for Solution-Processed Solar Cells with High Efficiency

(2015) Bin Kan et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Developing accurate molecular mechanics force fields for conjugated molecular systems

(2015) Hainam Do et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Exciton mobility control throughsub−Åpacking modifications in molecular crystals

(2015) Nicholas J. Hestand et al.   PHYSICAL REVIEW B

Dynamics of the Excitonic Coupling in Organic Crystals

(2015) Juan Aragó et al.   PHYSICAL REVIEW LETTERS

A-D-A-typeS,N-Heteropentacenes: Next-Generation Molecular Donor Materials for Efficient Vacuum-Processed Organic Solar Cells

(2014) Amaresh Mishra et al.   ADVANCED MATERIALS

Anisotropy of singlet exciton diffusion in organic semiconductor crystals from ab initio approaches

(2014) V. Stehr et al.   JOURNAL OF CHEMICAL PHYSICS

Coherence penalty functional: A simple method for adding decoherence in Ehrenfest dynamics

(2014) Alexey V. Akimov et al.   JOURNAL OF CHEMICAL PHYSICS

Singlet Exciton Diffusion in Organic Crystals Based on Marcus Transfer Rates

(2014) Vera Stehr et al.   Journal of Chemical Theory and Computation

HJ-Aggregate Behavior of Crystalline 7,8,15,16-Tetraazaterrylene: Introducing a New Design Paradigm for Organic Materials

(2014) H. Yamagata et al.   Journal of Physical Chemistry C

Theory of charge hopping along a disordered polymer chain

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

Phenomenological model for charge dynamics and optical response of disordered systems: Application to organic semiconductors

(2014) S. Fratini et al.   PHYSICAL REVIEW B

Visualization of exciton transport in ordered and disordered molecular solids

(2014) Gleb M. Akselrod et al.   Nature Communications

The Dynamics of Singlet Fission in Crystalline Tetracene and Covalent Analogs

(2013) Jonathan J. Burdett et al.   ACCOUNTS OF CHEMICAL RESEARCH

Singlet Exciton Fission in Polycrystalline Pentacene: From Photophysics toward Devices

(2013) Mark W. B. Wilson et al.   ACCOUNTS OF CHEMICAL RESEARCH

Subdiffusive exciton motion in systems with heavy-tailed disorder

(2013) S. M. Vlaming et al.   JOURNAL OF CHEMICAL PHYSICS

Quantized Hamiltonian dynamics captures the low-temperature regime of charge transport in molecular crystals

(2013) Linjun Wang et al.   JOURNAL OF CHEMICAL PHYSICS

A Benchmark of Excitonic Couplings Derived from Atomic Transition Charges

(2013) Kurt A. Kistler et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Photosynthetic light harvesting: excitons and coherence

(2013) F. Fassioli et al.   Journal of the Royal Society Interface

Measurement of molecular motion in organic semiconductors by thermal diffuse electron scattering

(2013) Alexander S. Eggeman et al.   NATURE MATERIALS

Roles of local and nonlocal electron-phonon couplings in triplet exciton diffusion in the anthracene crystal

(2013) Luca Grisanti et al.   PHYSICAL REVIEW B

Synthesis and Structure-Property Correlations of Dicyanovinyl-Substituted Oligoselenophenes and their Application in Organic Solar Cells

(2012) Stefan Haid et al.   ADVANCED FUNCTIONAL MATERIALS

Interrelation between Crystal Packing and Small-Molecule Organic Solar Cell Performance

(2012) Roland Fitzner et al.   ADVANCED MATERIALS

Small Molecule Organic Semiconductors on the Move: Promises for Future Solar Energy Technology

(2012) Amaresh Mishra et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Exciton diffusion length in narrow bandgap polymers

(2012) Oleksandr V. Mikhnenko et al.   Energy & Environmental Science

Coherent versus incoherent excitation energy transfer in molecular systems

(2012) Hung-Tzu Chang et al.   JOURNAL OF CHEMICAL PHYSICS

Triplet vs Singlet Energy Transfer in Organic Semiconductors: The Tortoise and the Hare

(2012) Shane R. Yost et al.   Journal of Physical Chemistry C

Correlation of π-Conjugated Oligomer Structure with Film Morphology and Organic Solar Cell Performance

(2012) Roland Fitzner et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Electronic excitation dynamics in multichromophoric systems described via a polaron-representation master equation

(2011) Avinash Kolli et al.   JOURNAL OF CHEMICAL PHYSICS

The nature of singlet excitons in oligoacene molecular crystals

(2011) H. Yamagata et al.   JOURNAL OF CHEMICAL PHYSICS

Ab Initio Modeling of Donor–Acceptor Interactions and Charge-Transfer Excitations in Molecular Complexes: The Case of Terthiophene–Tetracyanoquinodimethane

(2011) Juan Aragó et al.   Journal of Chemical Theory and Computation

Transient localization in crystalline organic semiconductors

(2011) S. Ciuchi et al.   PHYSICAL REVIEW B

Hall-Effect Measurements Probing the Degree of Charge-Carrier Delocalization in Solution-Processed Crystalline Molecular Semiconductors

(2011) Jui-Fen Chang et al.   PHYSICAL REVIEW LETTERS

Neutral and Oxidized Triisopropylsilyl End-Capped Oligothienoacenes: A Combined Electrochemical, Spectroscopic, and Theoretical Study

(2010) Juan Aragó et al.   CHEMISTRY-A EUROPEAN JOURNAL

Band-like temperature dependence of mobility in a solution-processed organic semiconductor

(2010) Tomo Sakanoue et al.   NATURE MATERIALS

Oligothienoacenes versus oligothiophenes: impact of ring fusion on the optical properties

(2010) Juan Aragó et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

2D Excitons as Primary Energy Carriers in Organic Crystals: The Case of Oligoacenes

(2010) E. V. Emelianova et al.   PHYSICAL REVIEW LETTERS

Theory of coherent resonance energy transfer

(2008) Seogjoo Jang et al.   JOURNAL OF CHEMICAL PHYSICS

Systematic optimization of long-range corrected hybrid density functionals

(2008) Jeng-Da Chai et al.   JOURNAL OF CHEMICAL PHYSICS

Charge Transfer in Donor-Bridge-Acceptor Systems: Static Disorder, Dynamic Fluctuations, and Complex Kinetics

(2008) Yuri A. Berlin et al.   Journal of Physical Chemistry C

Characterization of the Short-Range Couplings in Excitation Energy Transfer

(2008) Chao-Ping Hsu et al.   Journal of Physical Chemistry C

Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections

(2008) Jeng-Da Chai et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS