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...

Descripción completa

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

Internet

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

Ejemplares similares