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Computational Investigations of the Water Structure at the α-Al(2)O(3)(0001)–Water Interface

[Image: see text] The α-Al(2)O(3)(0001)–water interface is investigated using ab initio molecular dynamics (AIMD) simulations. The spectral signatures of the vibrational sum frequency generation (vSFG) spectra of OH stretching mode for water molecules at the interface are related to the interfacial...

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Detalles Bibliográficos
Autores principales:	Zhang, Xiaoliu, Arges, Christopher G., Kumar, Revati
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2023
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10428097/ https://www.ncbi.nlm.nih.gov/pubmed/37593231 http://dx.doi.org/10.1021/acs.jpcc.3c03243

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