Molecular origin of differences in hole and electron mobility in amorphous Alq3—a multiscale simulation study

Electron traps in semiconducting polymers: Exponential versus Gaussian trap distribution

(2011) H. T. Nicolai et al.   PHYSICAL REVIEW B

Scaling Theory for Percolative Charge Transport in Disordered Molecular Semiconductors

(2011) J. Cottaar et al.   PHYSICAL REVIEW LETTERS

Electronic Properties of Disordered Organic Semiconductors via QM/MM Simulations

(2010) Seth Difley et al.   ACCOUNTS OF CHEMICAL RESEARCH

Organic Semiconductors: Impact of Disorder at Different Timescales

(2010) David P. McMahon et al.   CHEMPHYSCHEM

Current Status of the AMOEBA Polarizable Force Field

(2010) Jay W. Ponder et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Influence of Structural Dynamics on Polarization Energies in Anthracene Single Crystals

(2010) Nicolas G. Martinelli et al.   Journal of Physical Chemistry C

Charge Transport in Organic Crystals: Role of Disorder and Topological Connectivity

(2010) Thorsten Vehoff et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The thermodynamics of charge transfer in DNA photolyase: using thermodynamic integration calculations to analyse the kinetics of electron transfer reactions

(2010) Sebastian Krapf et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Polarizable Atomistic Calculation of Site Energy Disorder in Amorphous Alq3

(2009) Yuki Nagata   CHEMPHYSCHEM

Performance of Nonlinear Finite-Difference Poisson−Boltzmann Solvers

(2009) Qin Cai et al.   Journal of Chemical Theory and Computation

Carrier-density and field-dependent charge-carrier mobility in organic semiconductors with correlated Gaussian disorder

(2009) M. Bouhassoune et al.   ORGANIC ELECTRONICS

Charge Transport in Semiconductors with Multiscale Conformational Dynamics

(2009) Alessandro Troisi et al.   PHYSICAL REVIEW LETTERS

Characterization of the electronic excitations in Alq3 using electron energy-loss spectroscopy

(2008) M. Knupfer   APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING

Atomistic simulation on charge mobility of amorphous tris(8-hydroxyquinoline) aluminum (Alq3): Origin of Poole–Frenkel–type behavior

(2008) Yuki Nagata et al.   JOURNAL OF CHEMICAL PHYSICS

The role of short-ranged energetic correlations in the mobility field dependence of disordered organic materials

(2008) Camila Tonezer et al.   JOURNAL OF CHEMICAL PHYSICS

Charge transport in disordered organic host–guest systems: effects of carrier density and electric field

(2008) Y Y Yimer et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Polarization Energies in Oligoacene Semiconductor Crystals

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

Simulating charge transport in tris(8-hydroxyquinoline) aluminium (Alq3)

(2008) J. J. Kwiatkowski et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS