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Kinetic Considerations of Gas-Phase Adsorption of Growth Species on the c-BN(100) Surface
Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström.
Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Inorganic Chemistry.
2014 (English)In: Thin Solid Films, ISSN 0040-6090, E-ISSN 1879-2731, Vol. 564, 246-252 p.Article in journal (Refereed) Published
Abstract [en]

The cubic phase of boron nitride (c-BN) is an extremely promising multifunctional material. However, to exploit all possible applications, a successful route for large area chemical vapor deposition (CVD) of c-BN films is required. Adsorption of gaseous growth species onto the c-BN surface is one of the key elementary reactions in CVD growth of c-BN. In the present study, adsorption of BHx, BFx, and NHx species (x = 0, 1, 2, 3) onto the B- and N-terminated c-BN(100) surfaces has been investigated using density functional theory (DFT) calculations. It was found that adsorption of BHx is an activation less process.

Place, publisher, year, edition, pages
2014. Vol. 564, 246-252 p.
National Category
Materials Chemistry
URN: urn:nbn:se:uu:diva-203233DOI: 10.1016/j.tsf.2014.05.013ISI: 000340852200033OAI: oai:DiVA.org:uu-203233DiVA: diva2:635804
Available from: 2013-07-05 Created: 2013-07-05 Last updated: 2014-09-24Bibliographically approved
In thesis
1. Theoretical Routes for c-BN Thin Film Growth
Open this publication in new window or tab >>Theoretical Routes for c-BN Thin Film Growth
2013 (English)Doctoral thesis, comprehensive summary (Other academic)
Abstract [en]

Cubic boron nitride (c-BN) has been in focus for several years due to its interesting properties. The possibility for large area chemical vapor deposition (CVD) is a requirement for the realization of these different properties in various applications. Unfortunately, there are at present severe problems in the CVD growth of c-BN. The purpose with this research project has been to theoretically investigate, using density functional theory (DFT) calculations, the possibility for a layer-by-layer CVD growth of c-BN.  The results, in addition with experimental work by Zhang et al.57,  indicate that plasma-enhanced atomic layer deposition (PEALD), using a BF3-H2-NH3-F2 pulse cycle and a diamond substrate, is a promising method for deposition of c-BN films. The gaseous species will decompose in the plasma and form BFx, H, NHx, and F species (x = 0, 1, 2, 3). The H and F radicals will uphold the cubic structure by completely hydrogenate, or fluorinate, the growing surface. Surface radical sites will appear during the growth process as a result of atomic H, or F, abstraction reactions. However, introduction of energy (e.g., ionic bombardment) is probably necessary to promote removal of H from the surface. The addition of NHx growth species (x = 0, 1, 2) to the B radical sites, and BFx growth species (x = 0, 1, 2) to N radical sites, will then result in a continuous growth of c-BN.

Place, publisher, year, edition, pages
Uppsala: Acta Universitatis Upsaliensis, 2013. 44 p.
Digital Comprehensive Summaries of Uppsala Dissertations from the Faculty of Science and Technology, ISSN 1651-6214 ; 1055
cubic boron nitride, chemical vapor deposition, density functional theory
National Category
Inorganic Chemistry
Research subject
Chemistry with specialization in Inorganic Chemistry
urn:nbn:se:uu:diva-204234 (URN)978-91-554-8705-8 (ISBN)
Public defence
2013-09-13, Polhemssalen, Lägerhyddsvägen 1, 751 21, Uppsala, 10:15 (English)
Available from: 2013-08-23 Created: 2013-07-27 Last updated: 2014-01-07

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