Journal article
Entropic Contributions to the Atomic-Scale Charge-Carrier/Surface Interactions That Govern Macroscopic Surface Conductance
Journal of physical chemistry. C, v 114(9), pp 3991-3997
11 Mar 2010
Abstract
In this paper it is demonstrated how to use quantum-chemical electronic Structure calculations to estimate the values of the entropic parameters in a mathematical model Of Surface conductance. Entropy changes involved in both charge-carrier-hopping and desorption processes are considered. The model is then fit to experimental data for the temperature dependence of Surface conductance of gamma-alumina and the best-fit values of the entropic parameters are compared to those obtained by quantum-chemical calculations.
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Details
- Title
- Entropic Contributions to the Atomic-Scale Charge-Carrier/Surface Interactions That Govern Macroscopic Surface Conductance
- Creators
- Shuhui Cai - Drexel UniversityMonica Caldararu - Drexel UniversityKarl Sohlberg - Drexel University
- Publication Details
- Journal of physical chemistry. C, v 114(9), pp 3991-3997
- Publisher
- American Chemical Society; Washington, DC
- Number of pages
- 7
- Grant note
- National Center for Supercomputing Applications (NCSA) DE-FC02-01CH11085 / USDOE; United States Department of Energy (DOE) DuPont
- Resource Type
- Journal article
- Language
- English
- Academic Unit
- Chemistry
- Web of Science ID
- WOS:000275045600042
- Scopus ID
- 2-s2.0-77949309604
- Other Identifier
- 991019168374204721
InCites Highlights
Data related to this publication, from InCites Benchmarking & Analytics tool:
- Collaboration types
- Domestic collaboration
- International collaboration
- Web of Science research areas
- Chemistry, Physical
- Materials Science, Multidisciplinary
- Nanoscience & Nanotechnology