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Systematic Theoretical Study on Structural, Stability, Electronic, and Spectral Properties of Si(2) [Formula: see text] (Q = 0, ±1; n = 1–11) Clusters of Silicon-Magnesium Sensor Material

By using CALYPSO searching method and Density Functional Theory (DFT) method at the B3LYP/6-311G (d) level of cluster method, a systematic study of the structures, stabilities, electronic and spectral properties of Si(2) [Formula: see text] (n = 1–11; Q = 0, ±1) clusters of silicon-magnesium sensor...

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Detalles Bibliográficos
Autores principales:	Zhu, Ben-Chao, Deng, Ping-Ji, Zeng, Lu
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Frontiers Media S.A. 2019
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6861164/ https://www.ncbi.nlm.nih.gov/pubmed/31781548 http://dx.doi.org/10.3389/fchem.2019.00771

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