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First-Principles Investigations of InN Nonpolar Surface Functionalization (Articolo in rivista)

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Label

First-Principles Investigations of InN Nonpolar Surface Functionalization (Articolo in rivista) (literal)

Anno

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Alternative label

Terentjevs A. a; Cicero G. b; Catellani A. c (2009)
First-Principles Investigations of InN Nonpolar Surface Functionalization
in Journal of physical chemistry. C; ACS, American chemical society, Washington, DC (Stati Uniti d'America)
(literal)

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Rivista

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In: Journal of Physical Chemistry C, vol. 113 (26) pp. 11323 - 11328. American Chemical Society, 2009. (literal)

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Note

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a Department of Physics, Politecnico di Torino, Italy; b Department of Materials Science and Chemical Engineering, Politecnico di Torino, Italy; c CNR-IMEM, Parma, Italy (literal)

Titolo

First-Principles Investigations of InN Nonpolar Surface Functionalization (literal)

Abstract

In this paper we present a theoretical investigation of the InN nonpolar surface functionalization and propose a grafting mechanism for different functional groups. Ab initio calculations were first applied to explore the electronic properties of clean surfaces; afterward, they were employed to address InN nonpolar surface functionalization. InN surfaces were found to be highly reactive upon exposure to the most common functional groups: methanethiol (CH3−SH), acetic acid (CH3−COOH), methylamine (CH3−NH2), and methanol (CH3−OH). They all strongly bind to the surface with exothermic reaction. (literal)

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