Quantitative prediction of charge mobilities of π-stacked systems by first-principles simulation

From charge transport parameters to charge mobility in organic semiconductors through multiscale simulation

(2014) Zhigang Shuai et al.   CHEMICAL SOCIETY REVIEWS

Impact of Molecular Packing on Electronic Polarization in Organic Crystals: The Case of Pentacene vs TIPS-Pentacene

(2014) Sean M. Ryno et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Between Superexchange and Hopping: An Intermediate Charge-Transfer Mechanism in Poly(A)-Poly(T) DNA Hairpins

(2013) Nicolas Renaud et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Organic single crystals: Addressing the fundamentals of organic electronics

(2013) Vitaly Podzorov   MRS BULLETIN

Impact of a single base pair substitution on the charge transfer rate along short DNA hairpins

(2013) N. Renaud et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Toward Quantitative Prediction of Charge Mobility in Organic Semiconductors: Tunneling Enabled Hopping Model

(2012) Hua Geng et al.   ADVANCED MATERIALS

Modification of n-Type Organic Semiconductor Performance of Perylene Diimides by Substitution in Different Positions: Two-Dimensional π-Stacking and Hydrogen Bonding

(2012) Ming-Xing Zhang et al.   ChemSusChem

Anisotropic Charge Transport in Bisindenoanthrazoline-Based n-Type Organic Semiconductors

(2012) Xiao-Yu Zhang et al.   Journal of Physical Chemistry C

Anisotropic charge injection and transport in the cross stacking crystal of distyrylbenzene derivative and a possible new device structure

(2011) Dandan Liu et al.   CHEMICAL PHYSICS LETTERS

Graphene based new energy materials

(2011) Yiqing Sun et al.   Energy & Environmental Science

Density functional theory study on electron and hole transport properties of organic pentacene derivatives with electron-withdrawing substituent

(2011) Shuo Chai et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Direct Measurement of the Dynamics of Excess Electron Transfer through Consecutive Thymine Sequence in DNA

(2011) Man Jae Park et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

BODIPY derivatives as n-type organic semiconductors: Isomer effect on carrier mobility

(2011) Ming-Xing Zhang et al.   ORGANIC ELECTRONICS

Evaluation of Charge Mobility in Organic Materials: From Localized to Delocalized Descriptions at a First-Principles Level

(2010) Zhigang Shuai et al.   ADVANCED MATERIALS

Ultra-low resistance at TTF–TCNQ organic interfaces

(2010) Shuhao Wen et al.   CHEMICAL COMMUNICATIONS

Organic single crystal field-effect transistors: advances and perspectives

(2010) Lang Jiang et al.   JOURNAL OF MATERIALS CHEMISTRY

Molecular Understanding of Organic Solar Cells: The Challenges

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

Computational methods for design of organic materials with high charge mobility

(2009) Linjun Wang et al.   CHEMICAL SOCIETY REVIEWS

First-Principles Investigation of Anistropic Hole Mobilities in Organic Semiconductors

(2009) Shu-Hao Wen et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Conjugated Polymer Photovoltaic Materials with Broad Absorption Band and High Charge Carrier Mobility

(2008) Yongfang Li et al.   ADVANCED MATERIALS

Ping-Pong Electron Transfer through DNA

(2008) Benjamin Elias et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Influences of Crystal Structures and Molecular Sizes on the Charge Mobility of Organic Semiconductors: Oligothiophenes

(2008) Xiaodi Yang et al.   CHEMISTRY OF MATERIALS

Mechanism of charge transport in self-organizing organic materials

(2008) Ferdinand C. Grozema et al.   INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY

Theoretical comparative studies of charge mobilities for molecular materials: Pet versus bnpery

(2008) Caili Wang et al.   ORGANIC ELECTRONICS