Transiently delocalized states enhance hole mobility in organic molecular semiconductors

Charge Transport in Organic Semiconductors: The Perspective from Nonadiabatic Molecular Dynamics

(2022) Samuele Giannini et al.   ACCOUNTS OF CHEMICAL RESEARCH

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

(2022) Nadine Rußegger et al.   Journal of Physical Chemistry C

Exciton transport in molecular organic semiconductors boosted by transient quantum delocalization

(2022) Samuele Giannini et al.   Nature Communications

Ultrahigh On‐Current Density of Organic Field‐Effect Transistors Facilitated by Molecular Monolayer Crystals

(2022) Boyu Peng et al.   ADVANCED FUNCTIONAL MATERIALS

A New Frontier in Exciton Transport: Transient Delocalization

(2022) Alexander J. Sneyd et al.   Journal of Physical Chemistry Letters

Effectively modulating thermal activated charge transport in organic semiconductors by precise potential barrier engineering

(2021) Yinan Huang et al.   Nature Communications

Correlating Charge Transport Properties of Conjugated Polymers in Solution Aggregates and Thin‐Film Aggregates

(2021) Zi‐Yuan Wang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Long-Range Interactions Boost Singlet Exciton Diffusion in Nanofibers of π-Extended Polymer Chains

(2021) Suryoday Prodhan et al.   Journal of Physical Chemistry Letters

A general charge transport picture for organic semiconductors with nonlocal electron-phonon couplings

(2021) Weitang Li et al.   Nature Communications

Efficient energy transport in an organic semiconductor mediated by transient exciton delocalization

(2021) Alexander J. Sneyd et al.   Science Advances

Ultrafast estimation of electronic couplings for electron transfer between pi-conjugated organic molecules. II

(2021) Orestis George Ziogos et al.   JOURNAL OF CHEMICAL PHYSICS

Non-adiabatic Excited-State Molecular Dynamics: Theory and Applications for Modeling Photophysics in Extended Molecular Materials

(2020) Tammie R. Nelson et al.   CHEMICAL REVIEWS

CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations

(2020) Thomas D. Kühne et al.   JOURNAL OF CHEMICAL PHYSICS

Performance of Mixed Quantum-Classical Approaches on Modeling the Crossover from Hopping to Bandlike Charge Transport in Organic Semiconductors

(2020) Weiwei Xie et al.   Journal of Chemical Theory and Computation

Charge transport in high-mobility conjugated polymers and molecular semiconductors

(2020) Simone Fratini et al.   NATURE MATERIALS

On the Largest Possible Mobility of Molecular Semiconductors and How to Achieve It

(2020) Tahereh Nematiaram et al.   ADVANCED FUNCTIONAL MATERIALS

Applying Marcus theory to describe the carrier transports in organic semiconductors: Limitations and beyond

(2020) Zhigang Shuai et al.   JOURNAL OF CHEMICAL PHYSICS

Surface hopping methods for nonadiabatic dynamics in extended systems

(2019) Linjun Wang et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

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

(2019) Guillaume Schweicher et al.   ADVANCED MATERIALS

Evaluating intrinsic mobility from transient terahertz conductivity spectra of microcrystal samples of organic molecular semiconductors

(2019) H. Yada et al.   APPLIED PHYSICS LETTERS

Quantum localization and delocalization of charge carriers in organic semiconducting crystals

(2019) Samuele Giannini et al.   Nature Communications

Crossover from Hopping to Band-Like Charge Transport in an Organic Semiconductor Model: Atomistic Nonadiabatic Molecular Dynamics Simulation

(2018) Samuele Giannini et al.   Journal of Physical Chemistry Letters

Detailed balance, internal consistency, and energy conservation in fragment orbital-based surface hopping

(2017) Antoine Carof et al.   JOURNAL OF CHEMICAL PHYSICS

A map of high-mobility molecular semiconductors

(2017) S. Fratini et al.   NATURE MATERIALS

Coexistence of ultra-long spin relaxation time and coherent charge transport in organic single-crystal semiconductors

(2017) Junto Tsurumi et al.   Nature Physics

The Transient Localization Scenario for Charge Transport in Crystalline Organic Materials

(2016) Simone Fratini et al.   ADVANCED FUNCTIONAL MATERIALS

Nuclear quantum tunnelling and carrier delocalization effects to bridge the gap between hopping and bandlike behaviors in organic semiconductors

(2016) Yuqian Jiang et al.   Nanoscale Horizons

Charge carrier coherence and Hall effect in organic semiconductors

(2016) H. T. Yi et al.   Scientific Reports

Mixed quantum-classical dynamics for charge transport in organics

(2015) Linjun Wang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

(2014) Chikahiko Mitsui et al.   ADVANCED MATERIALS

Carrier dynamics of rubrene single-crystals revealed by transient broadband terahertz spectroscopy

(2014) H. Yada et al.   APPLIED PHYSICS LETTERS

Ultrafast Estimation of Electronic Couplings for Electron Transfer between π-Conjugated Organic Molecules

(2014) Fruzsina Gajdos et al.   Journal of Chemical Theory and Computation

Ultra-broadband THz time-domain spectroscopy of common polymers using THz air photonics

(2014) Francesco D’Angelo et al.   OPTICS EXPRESS

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

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

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

(2013) Wei Xie et al.   ADVANCED MATERIALS

First-principles prediction of charge mobility in carbon and organic nanomaterials

(2012) Jinyang Xi et al.   Nanoscale

Charge transport in high mobility molecular semiconductors: classical models and new theories

(2011) Alessandro Troisi   CHEMICAL SOCIETY REVIEWS

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

Carrier dynamics in semiconductors studied with time-resolved terahertz spectroscopy

(2011) Ronald Ulbricht et al.   REVIEWS OF MODERN PHYSICS

From computational discovery to experimental characterization of a high hole mobility organic crystal

(2011) Anatoliy N. Sokolov et al.   Nature Communications

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

Theoretical Characterization of the Air-Stable, High-Mobility Dinaphtho[2,3-b:2′3′-f]thieno[3,2-b]-thiophene Organic Semiconductor

(2010) Roel S. Sánchez-Carrera et al.   Journal of Physical Chemistry C

Terahertz spectroscopy and imaging - Modern techniques and applications

(2010) P.U. Jepsen et al.   Laser & Photonics Reviews

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

(2010) Tomo Sakanoue et al.   NATURE MATERIALS

Distribution of Localized States from Fine Analysis of Electron Spin Resonance Spectra in Organic Transistors

(2010) Hiroyuki Matsui et al.   PHYSICAL REVIEW LETTERS

Bandlike Motion and Mobility Saturation in Organic Molecular Semiconductors

(2009) S. Fratini et al.   PHYSICAL REVIEW LETTERS

Effect of the intermolecular thermal motions on the tail of the electronic density of states in polyacene crystals

(2008) Jack P. Sleigh et al.   APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING

On the mechanism of charge transport in pentacene

(2008) H. A. v. Laarhoven et al.   JOURNAL OF CHEMICAL PHYSICS