Boron doped Si nanoparticles: The effect of oxidation

Carvalho, A, Öberg, S, Barroso, M, Rayson, MJ and Briddon, P (2013) Boron doped Si nanoparticles: The effect of oxidation Physica Status Solidi (B) Basic Research, 250 (9). pp. 1799-1803.

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Abstract

The preferred location of boron in oxidized free-standing Si nanoparticles was investigated using a first-principles density functional approach. The nanoparticles were modeled by a silicon core about 1.5nm in diameter surrounded by an outer shell of SiO2 with a thickness of about 0.5nm, and considered negatively charged. The calculated formation energies indicate that B is equally stable in the Si core and in the SiO2 shell, showing preference for interface sites. This indicates that, in contrast with phosphorus, the ratio of the boron concentration in the silicon core to that of the silicon shell will not be improved over one upon thermal annealing. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Item Type:	Article
Divisions :	Surrey research (other units)
Authors :	Name Email ORCID Carvalho, A Öberg, S Barroso, M Rayson, MJ m.j.rayson@surrey.ac.uk Briddon, P
Date :	1 September 2013
DOI :	10.1002/pssb.201349104
Depositing User :	Symplectic Elements
Date Deposited :	17 May 2017 13:03
Last Modified :	24 Jan 2020 23:21
URI:	http://epubs.surrey.ac.uk/id/eprint/837770

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