Chasing the “Killer” Phonon Mode for the Rational Design of Low‐Disorder, High‐Mobility Molecular Semiconductors

Optical properties of Meloxicam in the far-infrared spectral region

(2018) Yusuf Samet Aytekin et al.   CHEMICAL PHYSICS

Towards a reliable description of the lattice vibrations in organic molecular crystals: the impact of van der Waals interactions

(2018) Natalia Bedoya-Martínez et al.   Journal of Chemical Theory and Computation

The neutron guide upgrade of the TOSCA spectrometer

(2018) Roberto S. Pinna et al.   NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT

AbINS: The modern software for INS interpretation

(2018) Krzysztof Dymkowski et al.   PHYSICA B-CONDENSED MATTER

Uncovering the Connection Between Low-Frequency Dynamics and Phase Transformation Phenomena in Molecular Solids

(2018) Michael T. Ruggiero et al.   PHYSICAL REVIEW LETTERS

Quantum-mechanical condensed matter simulations with CRYSTAL

(2018) Roberto Dovesi et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

TOPAS and TOPAS-Academic: an optimization program integrating computer algebra and crystallographic objects written in C++

(2018) Alan A. Coelho   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Revisiting the Thermodynamic Stability of Indomethacin Polymorphs with Low-Frequency Vibrational Spectroscopy and Quantum Mechanical Simulations

(2018) Michael T. Ruggiero et al.   CRYSTAL GROWTH & DESIGN

Impact of Phonon Dispersion on Nonlocal Electron–Phonon Couplings in Organic Semiconductors: The Naphthalene Crystal as a Case Study

(2017) Zeyi Tu et al.   Journal of Physical Chemistry C

DFT-Assisted Polymorph Identification from Lattice Raman Fingerprinting

(2017) Natalia Bedoya-Martínez et al.   Journal of Physical Chemistry Letters

A map of high-mobility molecular semiconductors

(2017) S. Fratini et al.   NATURE MATERIALS

Critical assessment of charge mobility extraction in FETs

(2017) Hyun Ho Choi et al.   NATURE MATERIALS

Reversibility of temperature driven discrete layer-by-layer formation of dioctyl-benzothieno-benzothiophene films

(2017) M. Dohr et al.   Soft Matter

Hole-phonon coupling effect on the band dispersion of organic molecular semiconductors

(2017) F. Bussolotti et al.   Nature Communications

The Transient Localization Scenario for Charge Transport in Crystalline Organic Materials

(2016) Simone Fratini et al.   ADVANCED FUNCTIONAL MATERIALS

Mobility Exceeding 10 cm2/(V·s) in Donor–Acceptor Polymer Transistors with Band-like Charge Transport

(2016) Yu Yamashita et al.   CHEMISTRY OF MATERIALS

High operational and environmental stability of high-mobility conjugated polymer field-effect transistors through the use of molecular additives

(2016) Mark Nikolka et al.   NATURE MATERIALS

Suppressing molecular vibrations in organic semiconductors by inducing strain

(2016) Takayoshi Kubo et al.   Nature Communications

Reducing dynamic disorder in small-molecule organic semiconductors by suppressing large-amplitude thermal motions

(2016) Steffen Illig et al.   Nature Communications

The emergence of charge coherence in soft molecular organic semiconductors via the suppression of thermal fluctuations

(2016) Kenichi Sakai et al.   NPG Asia Materials

Thienoacene dimers based on the thieno[3,2-b]thiophene moiety: synthesis, characterization and electronic properties

(2015) Claude Niebel et al.   Journal of Materials Chemistry C

High-Performance Solution-Processable N-Shaped Organic Semiconducting Materials with Stabilized Crystal Phase

(2014) Chikahiko Mitsui et al.   ADVANCED MATERIALS

25th Anniversary Article: Organic Field-Effect Transistors: The Path Beyond Amorphous Silicon

(2014) Henning Sirringhaus   ADVANCED MATERIALS

What Currently Limits Charge Carrier Mobility in Crystals of Molecular Semiconductors?

(2014) Guillaume Schweicher et al.   ISRAEL JOURNAL OF CHEMISTRY

Temperature-Independent Transport in High-Mobility Dinaphtho-Thieno-Thiophene (DNTT) Single Crystal Transistors

(2013) Wei Xie et al.   ADVANCED MATERIALS

Dynamics of Monolayer-Island Transitions in 2,7-Dioctyl-benzothienobenzthiophene Thin Films

(2013) Michael Dohr et al.   CHEMPHYSCHEM

High-Mobility Transistors Based on Single Crystals of Isotopically Substituted Rubrene-d28

(2013) Wei Xie et al.   Journal of Physical Chemistry C

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

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

Nonlocal electron-phonon coupling in the pentacene crystal: Beyond the Γ-point approximation

(2012) Yuanping Yi et al.   JOURNAL OF CHEMICAL PHYSICS

Temperature dependence of the Hall effect in pentacene field-effect transistors: Possibility of charge decoherence induced by molecular fluctuations

(2012) T. Uemura et al.   PHYSICAL REVIEW B

Electronic transport and quantum localization effects in organic semiconductors

(2012) S. Ciuchi et al.   PHYSICAL REVIEW B

Molecular Fingerprints in the Electronic Properties of Crystalline Organic Semiconductors: From Experiment to Theory

(2012) S. Ciuchi et al.   PHYSICAL REVIEW LETTERS

Electron-Phonon Coupling in Crystalline Organic Semiconductors: Microscopic Evidence for Nonpolaronic Charge Carriers

(2012) Nenad Vukmirović et al.   PHYSICAL REVIEW LETTERS

Patternable Solution-Crystallized Organic Transistors with High Charge Carrier Mobility

(2011) Kengo Nakayama et al.   ADVANCED MATERIALS

Effect of the damping function in dispersion corrected density functional theory

(2011) Stefan Grimme et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

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

The ORCA program system

(2011) Frank Neese   Wiley Interdisciplinary Reviews-Computational Molecular Science

Alkylated Dinaphtho[2,3-b:2′,3′-f]Thieno[3,2-b]Thiophenes (Cn-DNTTs): Organic Semiconductors for High-Performance Thin-Film Transistors

(2010) Myeong Jin Kang et al.   ADVANCED MATERIALS

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

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

Peierls and Holstein carrier-phonon coupling in crystalline rubrene

(2010) Alberto Girlando et al.   PHYSICAL REVIEW B

One-step synthesis of [1]benzothieno[3,2-b][1]benzothiophene from o-chlorobenzaldehyde

(2010) Masahiko Saito et al.   TETRAHEDRON LETTERS

Unique three-dimensional (3D) molecular array in dimethyl-DNTT crystals: a new approach to 3D organic semiconductors

(2010) Myeong Jin Kang et al.   Chemical Science

Crystalline Ultrasmooth Self-Assembled Monolayers of Alkylsilanes for Organic Field-Effect Transistors

(2009) Yutaka Ito et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Probing polymorphs of organic semiconductors by lattice phonon Raman microscopy

(2008) Aldo Brillante et al.   CRYSTENGCOMM

ExtSym: a program to aid space-group determination from powder diffraction data

(2008) Anders J. Markvardsen et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY