Reactivity and migration of hydrogen in a-Si:H

Conference · Tue Jul 01 00:00:00 EDT 1997

OSTI ID:20085473

Biswas, R; Li, Q; Pan, B C; Yoon, Y

Tight-binding molecular dynamics calculations reveal a new mechanism for hydrogen diffusion in hydrogenated amorphous silicon. Hydrogen diffuses through the network by successively bonding with nearby silicon and breaking their Si-Si bonds. The diffusing hydrogen carried with it a newly created dangling bond. These intermediate transporting states are densely populated in the network and have lower energies than H at the center of stretched Si-Si bonds.

• Research Organization: Iowa State Univ., Ames, IA (US); Ames Lab., IA (US)
• Sponsoring Organization: USDOE
• DOE Contract Number: W-7405-ENG-82
• OSTI ID: 20085473
• Resource Relation: Conference: Amorphous and Microcrystalline Silicon Technology - 1997, San Francisco, CA (US), 03/31/1997--04/04/1997; Other Information: PBD: 1997; Related Information: In: Amorphous and microcrystalline silicon technology--1997. Materials Research Society symposium proceedings, Volume 467, by Wagner, S.; Hack, M.; Schiff, E.A.; Schropp, R.; Shimizu, I. [eds.], 999 pages.
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
MOLECULAR DYNAMICS METHOD
DIFFUSION
HYDROGEN
PERMEABILITY
SILICON
AMORPHOUS STATE
HYDROGEN ADDITIONS
CHEMICAL BONDS
ACTIVATION ENERGY