A map of high-mobility molecular semiconductors
- 11 September 2017
- journal article
- Published by Springer Science and Business Media LLC in Nature Materials
- Vol. 16 (10), 998-1002
- https://doi.org/10.1038/nmat4970
Abstract
The charge mobility of molecular semiconductors is limited by the large fluctuation of intermolecular transfer integrals, often referred to as off-diagonal dynamic disorder, which causes transient localization of the carriers’ eigenstates. Using a recently developed theoretical framework, we show here that the electronic structure of the molecular crystals determines its sensitivity to intermolecular fluctuations. We build a map of the transient localization lengths of high-mobility molecular semiconductors to identify what patterns of nearest-neighbour transfer integrals in the two-dimensional (2D) high-mobility plane protect the semiconductor from the effect of dynamic disorder and yield larger mobility. Such a map helps rationalizing the transport properties of the whole family of molecular semiconductors and is also used to demonstrate why common textbook approaches fail in describing this important class of materials. These results can be used to rapidly screen many compounds and design new ones with optimal transport characteristics. Download referencesKeywords
This publication has 35 references indexed in Scilit:
- The Transient Localization Scenario for Charge Transport in Crystalline Organic MaterialsAdvanced Functional Materials, 2016
- The speed limit for sequential charge hopping in molecular materialsOrganic Electronics, 2011
- Prediction of the Absolute Charge Mobility of Molecular Semiconductors: the Case of RubreneAdvanced Materials, 2007
- Dynamics of the Intermolecular Transfer Integral in Crystalline Organic SemiconductorsThe Journal of Physical Chemistry A, 2006
- Transport Properties in the Rubrene Crystal: Electronic Coupling and Vibrational Reorganization EnergyAdvanced Materials, 2005
- Three-dimensional band structure and bandlike mobility in oligoacene single crystals: A theoretical investigationThe Journal of Chemical Physics, 2003
- Organic semiconductors: A theoretical characterization of the basic parameters governing charge transportProceedings of the National Academy of Sciences of the United States of America, 2002
- A Theoretical Study of Crystallochromy. Quantum Interference Effects in the Spectra of Perylene PigmentsJournal of the American Chemical Society, 1994
- Transport Properties of Organic SemiconductorsPhysical Review B, 1964
- Electron mobilities in organic semiconductorsJournal of Physics and Chemistry of Solids, 1963