Charge Carrier Localization and Transport in Organic Semiconductors: Insights from Atomistic Multiscale Simulations

Theoretical description of charge transport in disordered organic semiconductors

(2014) S. D. Baranovskii   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

Understanding the Microscopic Origin of the Very High Charge Mobility in PBTTT: Tolerance of Thermal Disorder

(2013) Tao Liu et al.   ADVANCED FUNCTIONAL MATERIALS

Organic Light Detectors: Photodiodes and Phototransistors

(2013) Kang-Jun Baeg et al.   ADVANCED MATERIALS

Organic Ternary Solar Cells: A Review

(2013) Tayebeh Ameri et al.   ADVANCED MATERIALS

Electronic States at Low-Angle Grain Boundaries in Polycrystalline Naphthalene

(2013) Marko Mladenović et al.   Journal of Physical Chemistry C

Flexible Surface Hopping Approach to Model the Crossover from Hopping to Band-like Transport in Organic Crystals

(2013) Linjun Wang et al.   Journal of Physical Chemistry Letters

Relation between Structure and Electronic Properties of Amorphous MEH-PPV Polymers

(2013) Ting Qin et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A general relationship between disorder, aggregation and charge transport in conjugated polymers

(2013) Rodrigo Noriega et al.   NATURE MATERIALS

A comparative study of electronic properties of disordered conjugated polymers

(2013) Nenad Vukmirović   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Nonadiabatic molecular dynamics simulation for carrier transport in a pentathiophene butyric acid monolayer

(2013) Junfeng Ren et al.   PHYSICAL REVIEW B

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

(2012) Jonathan Rivnay et al.   CHEMICAL REVIEWS

Small molecule semiconductors for high-efficiency organic photovoltaics

(2012) Yuze Lin et al.   CHEMICAL SOCIETY REVIEWS

Challenges for in silico design of organic semiconductors

(2012) Björn Baumeier et al.   JOURNAL OF MATERIALS CHEMISTRY

Wave-packet approach to transport properties of carrier coupled with intermolecular and intramolecular vibrations of organic semiconductors

(2012) Hiroyuki Ishii et al.   PHYSICAL REVIEW B

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

(2012) Nenad Vukmirović et al.   PHYSICAL REVIEW LETTERS

Organic light emitting diodes: Energy saving lighting technology—A review

(2012) N. Thejo Kalyani et al.   RENEWABLE & SUSTAINABLE ENERGY REVIEWS

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

(2011) Alessandro Troisi   CHEMICAL SOCIETY REVIEWS

Organic photoresponse materials and devices

(2011) Huanli Dong et al.   CHEMICAL SOCIETY REVIEWS

Overlapping fragments method for electronic structure calculation of large systems

(2011) Nenad Vukmirović et al.   JOURNAL OF CHEMICAL PHYSICS

Microscopic Simulations of Charge Transport in Disordered Organic Semiconductors

(2011) Victor Rühle et al.   Journal of Chemical Theory and Computation

Density of States and Wave Function Localization in Disordered Conjugated Polymers: A Large Scale Computational Study

(2011) Nenad Vukmirović et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Making environmental sensors on plastic foil

(2011) Danick Briand et al.   Materials Today

Carbon based materials for electronic bio-sensing

(2011) Maria D. Angione et al.   Materials Today

Polymer:fullerene bulk heterojunction solar cells

(2011) Jenny Nelson   Materials Today

Electrical Transport Properties of Oligothiophene-Based Molecular Films Studied by Current Sensing Atomic Force Microscopy

(2011) Bas L. M. Hendriksen et al.   NANO LETTERS

Modeling of charge transport in polycrystalline sexithiophene from quantum charge transfer rate theory beyond the first-order perturbation

(2011) Guangjun Nan et al.   ORGANIC ELECTRONICS

The role of disorder on the electronic structure of conjugated polymers. The case of poly-2,5-bis(phenylethynyl)-1,3,4-thiadiazole

(2011) J.M. Granadino-Roldán et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Structure and sources of disorder in poly(3-hexylthiophene) crystals investigated by density functional calculations with van der Waals interactions

(2011) Weiyu Xie et al.   PHYSICAL REVIEW B

Band Dispersion and Electronic Lifetimes in Crystalline Organic Semiconductors

(2011) S. Ciuchi et al.   PHYSICAL REVIEW LETTERS

Microstructural Characterization and Charge Transport in Thin Films of Conjugated Polymers

(2010) Alberto Salleo et al.   ADVANCED MATERIALS

Materials and Applications for Large Area Electronics: Solution-Based Approaches

(2010) Ana Claudia Arias et al.   CHEMICAL REVIEWS

Packing Structure of Poly(3-hexylthiophene) Crystal: Ab Initio and Molecular Dynamics Studies

(2010) Sefa Dag et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Intrinsic Charge Trapping in Organic and Polymeric Semiconductors: A Physical Chemistry Perspective

(2010) L. G. Kaake et al.   Journal of Physical Chemistry Letters

Structural Model of Regioregular Poly(3-hexylthiophene) Obtained by Electron Diffraction Analysis

(2010) Navaphun Kayunkid et al.   MACROMOLECULES

Carrier heating in disordered conjugated polymers in electric field

(2010) Nenad Vukmirović et al.   PHYSICAL REVIEW B

Extracting nondispersive charge carrier mobilities of organic semiconductors from simulations of small systems

(2010) Alexander Lukyanov et al.   PHYSICAL REVIEW B

Trap density of states in small-molecule organic semiconductors: A quantitative comparison of thin-film transistors with single crystals

(2010) Wolfgang L. Kalb et al.   PHYSICAL REVIEW B

Controlling Nucleation and Crystallization in Solution-Processed Organic Semiconductors for Thin-Film Transistors

(2009) Stephanie S. Lee et al.   ADVANCED MATERIALS

Thin-Film Organic Electronic Devices

(2009) Howard E. Katz et al.   Annual Review of Materials Research

An ad hoc tight binding method to study the electronic structure of semiconducting polymers

(2009) David P. McMahon et al.   CHEMICAL PHYSICS LETTERS

Computational methods for design of organic materials with high charge mobility

(2009) Linjun Wang et al.   CHEMICAL SOCIETY REVIEWS

A Realistic Description of the Charge Carrier Wave Function in Microcrystalline Polymer Semiconductors

(2009) D. L. Cheung et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Charge Carrier Motion in Disordered Conjugated Polymers: A Multiscale Ab Initio Study

(2009) Nenad Vukmirović et al.   NANO LETTERS

Large modulation of carrier transport by grain-boundary molecular packing and microstructure in organic thin films

(2009) Jonathan Rivnay et al.   NATURE MATERIALS

Structural and electronic properties of poly(3-hexylthiophene)π-stacked crystals

(2009) Arnaud Maillard et al.   PHYSICAL REVIEW B

Theory of charge transport in organic crystals: Beyond Holstein’s small-polaron model

(2009) Frank Ortmann et al.   PHYSICAL REVIEW B

Bandlike Motion and Mobility Saturation in Organic Molecular Semiconductors

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

Study of Hopping Transport in Long Oligothiophenes and Oligoselenophenes: Dependence of Reorganization Energy on Chain Length

(2008) Sanjio S. Zade et al.   CHEMISTRY-A EUROPEAN JOURNAL

Grain-boundary-limited charge transport in solution-processed 6,13 bis(tri-isopropylsilylethynyl) pentacene thin film transistors

(2008) Jihua Chen et al.   JOURNAL OF APPLIED PHYSICS

A unified theory for charge-carrier transport in organic crystals

(2008) Yuan-Chung Cheng et al.   JOURNAL OF CHEMICAL PHYSICS

Charge patching method for electronic structure of organic systems

(2008) Nenad Vukmirović et al.   JOURNAL OF CHEMICAL PHYSICS

Electronic Structure of Disordered Conjugated Polymers: Polythiophenes

(2008) Nenad Vukmirović et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Effective temperature for hopping transport in a Gaussian density of states

(2008) F. Jansson et al.   PHYSICAL REVIEW B

Universal Arrhenius Temperature Activated Charge Transport in Diodes from Disordered Organic Semiconductors

(2008) N. I. Craciun et al.   PHYSICAL REVIEW LETTERS