Mobilities of Electrons and Holes in Organic Molecular Solids. Comparison of Band and Hopping Models

摘要: A comparison is made of the applicability two limiting models for describing mobility excess charges in molecular organic solids. Anthracene principal solid examined, but similar calculations are also given naphthalene. critical re‐evaluation transfer integrals (which have been calculated from orbital wavefunctions), and an approximate method by which one may include effects electronic polarization. These then used to discuss mobilities (1) terms simple band theory, a delocalized, tight‐binding representation (2) hopping one‐site used. The tested consistency with experiment internal, theoretical consistency. It concluded that as first approximation, model superior model, gives quantitatively accurate picture physical mechanism underlying charge molecular...