Polaron formation mechanisms in conjugated polymers

Glass Transition Temperature of Conjugated Polymers by Oscillatory Shear Rheometry

(2017) Renxuan Xie et al.   MACROMOLECULES

Polarons in π-Conjugated Polymers: Anderson or Landau?

(2016) William Barford et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Polaron Delocalization in Conjugated Polymer Films

(2016) Raja Ghosh et al.   Journal of Physical Chemistry C

Tight binding model of conformational disorder effects on the optical absorption spectrum of polythiophenes

(2016) Joel H. Bombile et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Influence of molecular designs on polaronic and vibrational transitions in a conjugated push-pull copolymer

(2016) Christoph Cobet et al.   Scientific Reports

A very general rate expression for charge hopping in semiconducting polymers

(2015) Rocco P. Fornari et al.   JOURNAL OF CHEMICAL PHYSICS

Miscibility and Acid Strength Govern Contact Doping of Organic Photovoltaics with Strong Polyelectrolytes

(2015) Thinh P. Le et al.   MACROMOLECULES

Morphological and charge transport properties of amorphous and crystalline P3HT and PBTTT: insights from theory

(2015) Domenico Alberga et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Polaron stability in molecular semiconductors: theoretical insight into the impact of the temperature, electric field and the system dimensionality

(2015) Luiz Antonio Ribeiro Junior et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Structural and electronic properties of doped oligothiophenes in the presence of p-toluenesulfonate acids

(2015) Amar Chaalane et al.   THEORETICAL CHEMISTRY ACCOUNTS

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

(2014) Marko Mladenović et al.   ADVANCED FUNCTIONAL MATERIALS

Parameter free calculation of the subgap density of states in poly(3-hexylthiophene)

(2014) Jarvist M. Frost et al.   FARADAY DISCUSSIONS

New insights on the nature of two-dimensional polarons in semiconducting polymers: Infrared absorption in poly(3-hexylthiophene)

(2014) Christopher M. Pochas et al.   JOURNAL OF CHEMICAL PHYSICS

Theory of charge hopping along a disordered polymer chain

(2014) Rocco P. Fornari et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Localization of large polarons in the disordered Holstein model

(2014) Oliver Robert Tozer et al.   PHYSICAL REVIEW B

Polaron dynamics in a two-dimensional Holstein-Peierls system

(2013) E. Mozafari et al.   JOURNAL OF CHEMICAL PHYSICS

Excitons in Conjugated Polymers: A Tale of Two Particles

(2013) William Barford   JOURNAL OF PHYSICAL CHEMISTRY A

Coarse-grained simulations of the solution-phase self-assembly of poly(3-hexylthiophene) nanostructures

(2013) Kyra N. Schwarz et al.   Nanoscale

Unraveling Charge Transport in Conjugated Polymers

(2013) R. A. Street   SCIENCE

Coarse-Grained Computer Simulations of Polymer/Fullerene Bulk Heterojunctions for Organic Photovoltaic Applications

(2009) David M. Huang et al.   Journal of Chemical Theory and Computation