Molecular Charge Transfer Effects on Perylene Diimide Acceptor and Dinaphthothienothiophene Donor Systems

Dimers or Solid‐State Solvation? Intermolecular Effects of Multiple Donor–Acceptor Thermally Activated Delayed Fluorescence Emitter Determining Organic Light‐Emitting Diode Performance

(2021) Paulius Imbrasas et al.   Advanced Optical Materials

Long-Range Order Promotes Charge-Transfer Excitations in Donor/Acceptor Co-Crystals

(2021) Michele Guerrini et al.   Journal of Physical Chemistry C

Structure-Dependent Electron Affinities of Perylene Diimide-Based Acceptors

(2020) Ai Sugie et al.   Journal of Physical Chemistry C

Structure-Dependent Charge Transfer in Molecular Perylene-Based Donor/Acceptor Systems and Role of Side Chains

(2020) Valentina Belova 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

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

Superexchange Induced Charge Transport in Organic Donor–Acceptor Cocrystals and Copolymers: A Theoretical Perspective

(2019) Hua Geng et al.   CHEMISTRY OF MATERIALS

Impact of molecular quadrupole moments on the energy levels at organic heterojunctions

(2019) Martin Schwarze et al.   Nature Communications

Real-Time Structural and Optical Study of Growth and Packing Behavior of Perylene Diimide Derivative Thin Films: Influence of Side-Chain Modification

(2018) Valentina Belova et al.   Journal of Physical Chemistry C

Robust singlet fission in pentacene thin films with tuned charge transfer interactions

(2018) K. Broch et al.   Nature Communications

Tuning of the degree of charge transfer and the electronic properties in organic binary compounds by crystal engineering: a perspective

(2018) Hui Jiang et al.   Journal of Materials Chemistry C

An assessment of low-lying excitation energies and triplet instabilities of organic molecules with an ab initio Bethe-Salpeter equation approach and the Tamm-Dancoff approximation

(2017) Tonatiuh Rangel et al.   JOURNAL OF CHEMICAL PHYSICS

Evidence for Anisotropic Electronic Coupling of Charge Transfer States in Weakly Interacting Organic Semiconductor Mixtures

(2017) Valentina Belova et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Donor–acceptor single cocrystal of coronene and perylene diimide: molecular self-assembly and charge-transfer photoluminescence

(2017) Chen Wang et al.   RSC Advances

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

High performance nitrogen dioxide sensor based on organic field-effect transistor utilizing ultrathin CuPc/PTCDI-C8 heterojunction

(2016) Huidong Fan et al.   SYNTHETIC METALS

Electron injection barrier and energy-level alignment at the Au/PDI8-CN2 interface via current–voltage measurements and ballistic emission microscopy

(2015) R. Buzio et al.   ORGANIC ELECTRONICS

Charge-transfer crystallites as molecular electrical dopants

(2015) Henry Méndez et al.   Nature Communications

Energy-level alignment at organic heterointerfaces

(2015) M. Oehzelt et al.   Science Advances

The Active Layer Morphology of Organic Solar Cells Probed with Grazing Incidence Scattering Techniques

(2014) Peter Müller-Buschbaum   ADVANCED MATERIALS

Crystal Growth, Structure, and Transport Properties of the Charge-Transfer Salt Picene/2,3,5,6-Tetrafluoro-7,7,8,8-tetracyanoquinodimethane

(2014) Benjamin Mahns et al.   CRYSTAL GROWTH & DESIGN

Influence of the Relative Molecular Orientation on Interfacial Charge-Transfer Excitons at Donor/Acceptor Nanoscale Heterojunctions

(2014) Mahdieh Aghamohammadi et al.   Journal of Physical Chemistry C

Ultraviolet photoelectron spectra of 2,7-diphenyl[1]benzothieno[3,2-b][1]benzothiophene and dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene

(2013) H. Yagi et al.   CHEMICAL PHYSICS LETTERS

Optical and Morphological Studies of Thermally Evaporated PTCDI-C8 Thin Films for Organic Solar Cell Applications

(2013) Ronak Rahimi et al.   INTERNATIONAL JOURNAL OF PHOTOENERGY

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

Tailor-Made Highly Luminescent and Ambipolar Transporting Organic Mixed Stacked Charge-Transfer Crystals: An Isometric Donor–Acceptor Approach

(2013) Sang Kyu Park 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

Sulfur-Bridged Annulene-TCNQ Co-Crystal: A Self-Assembled ‘‘Molecular Level Heterojunction’’ with Air Stable Ambipolar Charge Transport Behavior

(2012) Jing Zhang et al.   ADVANCED MATERIALS

Quantitative Determination of Organic Semiconductor Microstructure from the Molecular to Device Scale

(2012) Jonathan Rivnay et al.   CHEMICAL REVIEWS

Organic-Organic Heterostructures: Concepts and Applications

(2012) Alexander Hinderhofer et al.   CHEMPHYSCHEM

Morphology characterization in organic and hybrid solar cells

(2012) Wei Chen et al.   Energy & Environmental Science

Photoluminescence spectroscopy of pure pentacene, perfluoropentacene, and mixed thin films

(2012) F. Anger et al.   JOURNAL OF CHEMICAL PHYSICS

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

P03, the microfocus and nanofocus X-ray scattering (MiNaXS) beamline of the PETRA III storage ring: the microfocus endstation

(2012) Adeline Buffet et al.   JOURNAL OF SYNCHROTRON RADIATION

Intermolecular Hybridization Governs Molecular Electrical Doping

(2012) Ingo Salzmann et al.   PHYSICAL REVIEW LETTERS

Organic transistors with high thermal stability for medical applications

(2012) Kazunori Kuribara et al.   Nature Communications

Structure and Morphology of PDI8-CN2 for n-Type Thin-Film Transistors

(2011) Fabiola Liscio et al.   ADVANCED FUNCTIONAL MATERIALS

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

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

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

Dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene (DNTT) thin-film transistors with improved performance and stability

(2011) Ute Zschieschang et al.   ORGANIC ELECTRONICS

Morphology of polymer-based bulk heterojunction films for organic photovoltaics

(2011) Matthias A. Ruderer et al.   Soft Matter

Electroactive materials for organic electronics: preparation strategies, structural aspects and characterization techniques

(2010) Adam Pron et al.   CHEMICAL SOCIETY REVIEWS

Molecular Design and Synthetic Approaches to Electron-Transporting Organic Transistor Semiconductors†

(2010) Byung Jun Jung et al.   CHEMISTRY OF MATERIALS

Molecular Understanding of Organic Solar Cells: The Challenges

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

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

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

(2009) Alexandre Tkatchenko et al.   PHYSICAL REVIEW LETTERS