Journal article
Hole Mobility for Thin-Film Organic Molecular Solids in the Presence of Defects or Surface Adsorbates: Theory and Implications for Gas Detection
Journal of physical chemistry. C, v 114(28), pp 12173-12189
22 Jul 2010
Featured in Collection : UN Sustainable Development Goals @ Drexel
Abstract
We report a computational procedure for predicting hole mobility in a thin-film molecular solid in the presence of an adsorbate. We first describe the effect on mobility due to defects, which may take the form of vacancies in the surface layer of the film or molecules adsorbed onto the surface of the film. The method is based on an implementation of Marcus hop rate theory. The adsorbate is then treated as a defect and the relation between defect density and mobility is studied. We have characterized simple oligoacene species (especially naphthalene and pentacene) and, for validation, the unrelated species alpha,omega-dihexylquaterthiophene (DH4T). Results are consistent with published studies of the relationship between mobility and defect density and yield insight into the electronic structure characteristics that render a material suitable for use as a probe of the presence of an adsorbate.
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Details
- Title
- Hole Mobility for Thin-Film Organic Molecular Solids in the Presence of Defects or Surface Adsorbates: Theory and Implications for Gas Detection
- Creators
- Matthew Rossi - Drexel UniversityKarl Sohlberg - Drexel University
- Publication Details
- Journal of physical chemistry. C, v 114(28), pp 12173-12189
- Publisher
- American Chemical Society; Washington, DC
- Number of pages
- 17
- Grant note
- CHE0449595 / National Science Foundation; National Science Foundation (NSF)
- Resource Type
- Journal article
- Language
- English
- Academic Unit
- Biochemistry and Molecular Biology; Chemistry
- Web of Science ID
- WOS:000279787600018
- Scopus ID
- 2-s2.0-77954724430
- Other Identifier
- 991019169618704721
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InCites Highlights
Data related to this publication, from InCites Benchmarking & Analytics tool:
- Web of Science research areas
- Chemistry, Physical
- Materials Science, Multidisciplinary
- Nanoscience & Nanotechnology