Cart (Loading....) | Create Account
Close category search window

Ab initio calculations of H/sup +/ energetics in SiO/sub 2/: Implications for transport

Sign In

Cookies must be enabled to login.After enabling cookies , please use refresh or reload or ctrl+f5 on the browser for the login options.

Formats Non-Member Member
$31 $13
Learn how you can qualify for the best price for this item!
Become an IEEE Member or Subscribe to
IEEE Xplore for exclusive pricing!
close button

puzzle piece

IEEE membership options for an individual and IEEE Xplore subscriptions for an organization offer the most affordable access to essential journal articles, conference papers, standards, eBooks, and eLearning courses.

Learn more about:

IEEE membership

IEEE Xplore subscriptions

5 Author(s)
Bunson, P.E. ; Dept. of Electr. & Comput. Eng., Vanderbilt Univ., Nashville, TN, USA ; Di Ventra, M. ; Pantelides, S.T. ; Schrimpf, R.D.
more authors

The process of H/sup +/ diffusion in SiO/sub 2/ is studied using first-principles density-functional theory. This is done by examining stable bonding sites, migration pathways, and barrier heights of H/sup +/ in /spl alpha/-quartz. The H/sup +/ is found to bind to the bridging oxygen site in a variety of ways, but always displaying an attraction to neighboring oxygen atoms. This attraction provides a mechanism for understanding the diffusion pathways and barrier heights for this system. The relative stability of H/sup +/ in SiO/sub 2/ is also discussed in the context of transport.

Published in:

Nuclear Science, IEEE Transactions on  (Volume:46 ,  Issue: 6 )

Date of Publication:

Dec. 1999

Need Help?

IEEE Advancing Technology for Humanity About IEEE Xplore | Contact | Help | Terms of Use | Nondiscrimination Policy | Site Map | Privacy & Opting Out of Cookies

A not-for-profit organization, IEEE is the world's largest professional association for the advancement of technology.
© Copyright 2014 IEEE - All rights reserved. Use of this web site signifies your agreement to the terms and conditions.