Possible Dual-Charge-Carrier Mechanism of Surface Conduction on -Alumina
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- 作者：Shuhui Cai ; Monica Caldararu ; Viorel Chihaia ; Cornel Munteanu ; Cristian Hornoiu ; Karl Sohlberg
- 刊名：Journal of Physical Chemistry C
- 出版年：2007
- 出版时间：April 12, 2007
- 年：2007
- 卷：111
- 期：14
- 页码：5506 - 5513
- 全文大小：188K
- 年卷期：v.111,no.14(April 12, 2007)
- ISSN：1932-7455
文摘
We cast a dual-charge-carrier model of surface conductance on 
-alumina in mathematical form. We thencarry out first-principles calculations for various possible atomic-scale structures of the low- and high-temperature charge-carrier interactions with the -alumina surface to estimate the values of the energyparameters in the dual-charge-carrier model. By comparing the values of these energy parameters as determinedby first-principles calculations to those obtained by fitting the mathematical form of the dual-charge-carriermodel to experimental data, new insight is gained into the nature of the charge-carrier species. The resultssupport the hypothesis that the intrinsic hydrogen content and surface moisture of -alumina provide a possibleexplanation of the observed thermal dependence of surface conductance.
-alumina in mathematical form. We thencarry out first-principles calculations for various possible atomic-scale structures of the low- and high-temperature charge-carrier interactions with the -alumina surface to estimate the values of the energyparameters in the dual-charge-carrier model. By comparing the values of these energy parameters as determinedby first-principles calculations to those obtained by fitting the mathematical form of the dual-charge-carriermodel to experimental data, new insight is gained into the nature of the charge-carrier species. The resultssupport the hypothesis that the intrinsic hydrogen content and surface moisture of -alumina provide a possibleexplanation of the observed thermal dependence of surface conductance.