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

An ab initio molecular-orbital study on hydrogen-abstraction reactions at the growing surface of hydrogenated amorphous silicon

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 $31
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

4 Author(s)
Nakajima, Kenji ; Ceramics Materials and Structures Laboratory, Tokyo Institute of Technology, 4259 Nagatsuta-cho, Midori-ku, Yokohama 226-8503, Japan ; Miyazaki, Kaori ; Koinuma, H. ; Sato, Kota

Your organization might have access to this article on the publisher's site. To check, click on this link:http://dx.doi.org/+10.1063/1.368087 

Energy profiles have been evaluated by an ab initio molecular-orbital method for hydrogen-abstraction reactions from surface model compounds of growing hydrogenated amorphous silicon (a-Si:H) by a SiH3 radical, a presumed main precursor to a-Si:H, as well as by a hydrogen radical which should coexist in the silane plasma chemical vapor deposition. The activation energies calculated for these two reactions decrease as the cluster size of the film surface model SinH2n+2 increases from n=1 to n=4 to converge for n≥4. This trend is in parallel with the variation of atomic charge delocalization. Both activation energies (0.22 and 0.28 eV, respectively) for the largest model, Si7H16, were low enough to induce the hydrogen abstractions from the surface to form dangling bonds, which spontaneously react with SiH3 radicals to form Si–Si bond. From thus produced H3Si–Si≡surface, hydrogen can be eliminated with SiH3 (or H) to reproduce a dangling bond. The initial step of the a-Si:H film growth is deduced by the calculation to proceed through sequential reactions of spontaneous addition of SiH3 to the dangling bonds, and the hydrogen abstraction to reproduce dangling bonds. © 1998 American Institute of Physics.

Published in:

Journal of Applied Physics  (Volume:84 ,  Issue: 1 )

Date of Publication:

Jul 1998

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.