Electronic, vibrational, and charge-transport properties of benzothienobenzothiophene–TCNQ co-crystals
Ajith Ashokan, Caitlin Hanson, Nathan Corbin, Jean‐Luc Brédas, Veaceslav Coropceanu
Abstract
The electronic, optical, vibrational, and charge-transport properties of a series of benzothienobenzothiophene–TCNQ co-crystals are discussed on the basis of density functional theory calculations.
Topics & Concepts
Charge (physics)Density functional theoryMaterials scienceChemical physicsComputational chemistryCondensed matter physicsChemistryPhysicsQuantum mechanicsOrganic and Molecular Conductors ResearchOrganic Electronics and PhotovoltaicsNonlinear Optical Materials Research