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First-principles theoretical study of hydrolysis of stepped and kinked Ga-terminated GaN surfaces

We have investigated the initial stage of hydrolysis process of Ga-terminated GaN surfaces by using first-principles theoretical calculations. We found that the activation barrier of H(2)O dissociation at the kinked site of the Ga-terminated GaN surface is about 0.8 eV, which is significantly lower...

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Detalhes bibliográficos
Main Authors: Oue, Mari, Inagaki, Kouji, Yamauchi, Kazuto, Morikawa, Yoshitada
Formato: Artigo
Idioma:Inglês
Publicado em: Springer 2013
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3848174/
https://ncbi.nlm.nih.gov/pubmed/23679914
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/1556-276X-8-232
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