PUMA
Istituto dei materiali per l'elettronica ed il magnetismo     
Terentjevs A., Cicero G., Catellani A. First-Principles Investigations of InN Nonpolar Surface Functionalization. In: Journal of Physical Chemistry C, vol. 113 (26) pp. 11323 - 11328. American Chemical Society, 2009.
 
 
Abstract
(English)
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.
URL: http://pubs.acs.org/doi/abs/10.1021/jp811148z
DOI: 10.1021/jp811148z
Subject Electronic states
Adsorption
Nitrides


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