Photophysics of Charge Transfer Complexes Formed by Tetracene and Strong Acceptors

Electrostatic Interactions Shape Molecular Organization and Electronic Structure of Organic Semiconductor Blends

(2020) Gabriele D’Avino et al.   CHEMISTRY OF MATERIALS

Ultrafast Tuning of Various Photochemical Pathways in Perylene-TCNQ Charge Transfer Crystal

(2020) Wenjun Ni et al.   Journal of Physical Chemistry C

Microscopic Insight into the Electronic Structure of BCF-Doped Oligothiophenes from Ab Initio Many-Body Theory

(2020) Richard Schier et al.   Journal of Physical Chemistry C

Ultrafast Singlet Fission in Rigid Azaarene Dimers with Negligible Orbital Overlap

(2020) Nicolò Alagna et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Energy-Level Alignment Tuning at Tetracene/c-Si Interfaces

(2020) Jens Niederhausen et al.   Journal of Physical Chemistry C

Electronic and Optical Properties of Oligothiophene-F4TCNQ Charge-Transfer Complexes: The Role of the Donor Conjugation Length

(2019) Ana M. Valencia et al.   Journal of Physical Chemistry C

State-of-Matter-Dependent Charge-Transfer Interactions between Planar Molecules for Doping Applications

(2019) Paul Beyer et al.   CHEMISTRY OF MATERIALS

Fingerprint of Charge Redistribution in the Optical Spectra of Hybrid Inorganic/Organic Semiconductor Interfaces

(2018) Tino Meisel et al.   Journal of Physical Chemistry C

Extended Space Charge Region and Unoccupied Molecular Band Formation in Epitaxial Tetrafluorotetracyanoquinodimethane Films

(2017) David Gerbert et al.   Journal of Physical Chemistry C

Molecular Doping of a High Mobility Diketopyrrolopyrrole–Dithienylthieno[3,2-b]thiophene Donor–Acceptor Copolymer with F6TCNNQ

(2017) Yevhen Karpov et al.   MACROMOLECULES

Organic narrowband near-infrared photodetectors based on intermolecular charge-transfer absorption

(2017) Bernhard Siegmund et al.   Nature Communications

Molecular Electrical Doping of Organic Semiconductors: Fundamental Mechanisms and Emerging Dopant Design Rules

(2016) Ingo Salzmann et al.   ACCOUNTS OF CHEMICAL RESEARCH

Interfacial Charge Transfer States in Condensed Phase Systems

(2016) Koen Vandewal   Annual Review of Physical Chemistry

molgw 1: Many-body perturbation theory software for atoms, molecules, and clusters

(2016) Fabien Bruneval et al.   COMPUTER PHYSICS COMMUNICATIONS

Structure, Stoichiometry, and Charge Transfer in Cocrystals of Perylene with TCNQ-Fx

(2016) Tommaso Salzillo et al.   CRYSTAL GROWTH & DESIGN

Single photon triggered dianion formation in TCNQ and F4TCNQ crystals

(2016) Lin Ma et al.   Scientific Reports

Crystal Growth, Dynamic and Charge Transfer Properties of New Coronene Charge Transfer Complexes

(2015) Olga Kataeva et al.   CRYSTAL GROWTH & DESIGN

Toward a comprehensive understanding of molecular doping organic semiconductors (review)

(2015) Ingo Salzmann et al.   JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA

Optical spectra from molecules to crystals: Insight from many-body perturbation theory

(2015) Caterina Cocchi et al.   PHYSICAL REVIEW B

Competition between recombination and extraction of free charges determines the fill factor of organic solar cells

(2015) Davide Bartesaghi et al.   Nature Communications

Charge-transfer crystallites as molecular electrical dopants

(2015) Henry Méndez et al.   Nature Communications

Glotaran: AJava-Based Graphical User Interface for theRPackageTIMP

(2015) Joris J. Snellenburg et al.   Journal of Statistical Software

A transferable model for singlet-fission kinetics

(2014) Shane R. Yost et al.   Nature Chemistry

Molecular Rotors of Coronene in Charge-Transfer Solids

(2013) Yukihiro Yoshida et al.   CHEMISTRY-A EUROPEAN JOURNAL

Many-body Green's function GW and Bethe-Salpeter study of the optical excitations in a paradigmatic model dipeptide

(2013) C. Faber et al.   JOURNAL OF CHEMICAL PHYSICS

Temperature-Independent Singlet Exciton Fission in Tetracene

(2013) Mark W. B. Wilson et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

(2013) Koen Vandewal et al.   NATURE MATERIALS

Comprehensive picture ofp-type doping of P3HT with the molecular acceptor F4TCNQ

(2013) P. Pingel et al.   PHYSICAL REVIEW B

Doped organic transistors operating in the inversion and depletion regime

(2013) Björn Lüssem et al.   Nature Communications

Charge-transfer complexes: new perspectives on an old class of compounds

(2013) Katelyn P. Goetz et al.   Journal of Materials Chemistry C

Ionization energy of atoms obtained from GW self-energy or from random phase approximation total energies

(2012) Fabien Bruneval   JOURNAL OF CHEMICAL PHYSICS

Benchmarking the Starting Points of the GW Approximation for Molecules

(2012) Fabien Bruneval et al.   Journal of Chemical Theory and Computation

Time-Resolved Studies of Charge Recombination in the Pyrene/TCNQ Charge-Transfer Crystal: Evidence for Tunneling

(2012) Robert J. Dillon et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Intermolecular Hybridization Governs Molecular Electrical Doping

(2012) Ingo Salzmann et al.   PHYSICAL REVIEW LETTERS

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

(2012) A. A. Bakulin et al.   SCIENCE

Charge Transfer in Molecular Complexes with 2,3,5,6-Tetrafluoro-7,7,8,8-tetracyanoquinodimethane (F4-TCNQ): A Density Functional Theory Study

(2011) Lingyun Zhu et al.   CHEMISTRY OF MATERIALS

The dependence of singlet exciton relaxation on excitation density and temperature in polycrystalline tetracene thin films: Kinetic evidence for a dark intermediate state and implications for singlet fission

(2011) Jonathan J. Burdett et al.   JOURNAL OF CHEMICAL PHYSICS

Optical Properties and Charge-Transfer Excitations in Edge-Functionalized All-Graphene Nanojunctions

(2011) Caterina Cocchi et al.   Journal of Physical Chemistry Letters

Structural phase transition in pentacene caused by molecular doping and its effect on charge carrier mobility

(2011) Hans Kleemann et al.   ORGANIC ELECTRONICS

Fundamental and excitation gaps in molecules of relevance for organic photovoltaics from an optimally tuned range-separated hybrid functional

(2011) Sivan Refaely-Abramson et al.   PHYSICAL REVIEW B

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

(2010) Carsten Deibel et al.   ADVANCED MATERIALS

Synthesis and Application of 1,3,4,5,7,8-Hexafluorotetracyanonaphthoquinodimethane (F6-TNAP): A Conductivity Dopant for Organic Light-Emitting Devices

(2010) Phillip K. Koech et al.   CHEMISTRY OF MATERIALS

Ab initio molecular simulations with numeric atom-centered orbitals

(2009) Volker Blum et al.   COMPUTER PHYSICS COMMUNICATIONS

Efficient integration for all-electron electronic structure calculation using numeric basis functions

(2009) V. Havu et al.   JOURNAL OF COMPUTATIONAL PHYSICS

Efficient two-step photogeneration of long-lived charges in ground-state charge-transfer complexes of conjugated polymer doped with fullerene

(2009) Artem A. Bakulin et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data

(2009) Alexandre Tkatchenko et al.   PHYSICAL REVIEW LETTERS

Determination of electron affinity of electron accepting molecules

(2008) Kaname Kanai et al.   APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING

Ultrafast Charge Photogeneration Dynamics in Ground-State Charge-Transfer Complexes Based on Conjugated Polymers

(2008) Artem A. Bakulin et al.   JOURNAL OF PHYSICAL CHEMISTRY B