title: Modeling Mechanism and Growth Reactions for New Nanofabrication Processes by Atomic Layer Deposition.
abstract: Recent progress in the simulation of the chemistry of atomic layer deposition (ALD) is presented for technologically important materials such as alumina, silica, and copper metal. Self-limiting chemisorption of precursors onto substrates is studied using density functional theory so as to determine reaction pathways and aid process development. The main challenges for the future of ALD modeling are outlined.
authors.affiliation: Tyndall National Institute, University College Cork, Lee Maltings, Dyke Parade, Cork, Ireland.
authors.forename: Simon D
authors.initials: SD
authors.lastname: Elliott
authors.affiliation: Tyndall National Institute, University College Cork, Lee Maltings, Dyke Parade, Cork, Ireland.|George Washington University, Virginia Campus, 20101 Academic Way, Suite 333, Ashburn, VA, 20147, USA.
authors.forename: Gangotri
authors.initials: G
authors.lastname: Dey
authors.affiliation: Tyndall National Institute, University College Cork, Lee Maltings, Dyke Parade, Cork, Ireland.
authors.forename: Yasheng
authors.initials: Y
authors.lastname: Maimaiti
authors.affiliation: Tyndall National Institute, University College Cork, Lee Maltings, Dyke Parade, Cork, Ireland.
authors.forename: Hayrensa
authors.initials: H
authors.lastname: Ablat
authors.affiliation: Tyndall National Institute, University College Cork, Lee Maltings, Dyke Parade, Cork, Ireland.
authors.forename: Ekaterina A
authors.initials: EA
authors.lastname: Filatova
authors.affiliation: Tyndall National Institute, University College Cork, Lee Maltings, Dyke Parade, Cork, Ireland.
authors.forename: Glen N
authors.initials: GN
authors.lastname: Fomengia
keywords: atomic layer deposition; density functional theory; nanofabrication; surface reaction mechanisms; thin films