Theoretical study on the transport properties of oligothiophene–diketopyrrolopyrrole derivatives: quinoidal versus aromatic

A Tuned LRC-DFT Design of Ambipolar Diketopyrrolopyrrole-Containing Quinoidal Molecules Interesting for Molecular Electronics

(2013) Gregorio García et al.   Journal of Chemical Theory and Computation

An efficient strategy for improving carrier transport performance – Introducing fluorine into aryl substituted tetracene

(2013) Bing Zhang et al.   ORGANIC ELECTRONICS

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

(2012) Hua Geng et al.   ADVANCED MATERIALS

Incorporation of pyrrole to oligothiophene-based quinoids endcapped with dicyanomethylene: a new class of solution processable n-channel organic semiconductors for air-stable organic field-effect transistors

(2012) Yali Qiao et al.   JOURNAL OF MATERIALS CHEMISTRY

The interplay of intermolecular interactions, packing motifs and electron transport properties in perylene diimide related materials: a theoretical perspective

(2012) Yun Geng et al.   JOURNAL OF MATERIALS CHEMISTRY

Diketopyrrolopyrrole-Containing Quinoidal Small Molecules for High-Performance, Air-Stable, and Solution-Processable n-Channel Organic Field-Effect Transistors

(2012) Yali Qiao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Theoretical study on charge transport properties of cyanovinyl-substituted oligothiophenes

(2012) Yu-Ai Duan et al.   ORGANIC ELECTRONICS

Towards crystal structure prediction of complex organic compounds – a report on the fifth blind test

(2011) David A. Bardwell et al.   ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE

All-Solution-Processed, High-Performance n-Channel Organic Transistors and Circuits: Toward Low-Cost Ambient Electronics

(2011) Yan Zhao et al.   ADVANCED MATERIALS

Bithiophene-Imide-Based Polymeric Semiconductors for Field-Effect Transistors: Synthesis, Structure−Property Correlations, Charge Carrier Polarity, and Device Stability

(2011) Xugang Guo et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The influence of thienyl-S,S-dioxidation on the photoluminescence and charge transport properties of dithienothiophenes: a theoretical study

(2011) Yun Geng et al.   THEORETICAL CHEMISTRY ACCOUNTS

Determination of the charge transport abilities of polymorphs [C6F5Cu]2(4,4′-bipy) with different interactions: a density functional theoretical investigation

(2011) Fei Yu et al.   THEORETICAL CHEMISTRY ACCOUNTS

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

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

Diketopyrrolopyrrole as a p-channel organic semiconductor for high performance OTFTs

(2010) Sabin-Lucian Suraru et al.   CHEMICAL COMMUNICATIONS

Theoretical discussions on electron transport properties of perylene bisimide derivatives with different molecular packings and intermolecular interactions

(2010) Yun Geng et al.   JOURNAL OF MATERIALS CHEMISTRY

On the Air Stability of n-Channel Organic Field-Effect Transistors: A Theoretical Study of Adiabatic Electron Affinities of Organic Semiconductors

(2010) Yu-Chang Chang et al.   Journal of Physical Chemistry C

Cyanated Pentaceno[2,3-c]chalcogenophenes for Potential Application in Air-Stable Ambipolar Organic Thin-Film Transistors

(2010) Chia-Chun Liu et al.   Journal of Physical Chemistry C

Multiscale study of charge mobility of organic semiconductor with dynamic disorders

(2010) Linjun Wang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Charge transport and luminescent properties of C6F5Cu(py) and their relationships with cuprophilic interactions: a density functional theory investigation

(2010) Fei Yu et al.   THEORETICAL CHEMISTRY ACCOUNTS

Chlorination: A General Route toward Electron Transport in Organic Semiconductors

(2009) Ming Lee Tang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Resistive Molecular Memories: Influence of Molecular Parameters on the Electrical Bistability

(2009) Simone Di Motta et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Nuclear tunneling effects of charge transport in rubrene, tetracene, and pentacene

(2009) Guangjun Nan et al.   PHYSICAL REVIEW B

Ab initioCalculation of van der Waals Bonded Molecular Crystals

(2009) Deyu Lu et al.   PHYSICAL REVIEW LETTERS

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

(2008) Xiaodi Yang et al.   CHEMISTRY OF MATERIALS

Implementation and Performance of DFT-D with Respect to Basis Set and Functional for Study of Dispersion Interactions in Nanoscale Aromatic Hydrocarbons

(2008) Roberto Peverati et al.   Journal of Chemical Theory and Computation

Role and effective treatment of dispersive forces in materials: Polyethylene and graphite crystals as test cases

(2008) Vincenzo Barone et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Air-Stable, Solution-Processablen-Channel and Ambipolar Semiconductors for Thin-Film Transistors Based on the Indenofluorenebis(dicyanovinylene) Core

(2008) Hakan Usta et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Polarization Energies in Oligoacene Semiconductor Crystals

(2008) Joseph E. Norton et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The Larger Acenes: Versatile Organic Semiconductors

(2007) John E. Anthony   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION