Understanding the stabilities and non-linear optical response of transition metal endo-doped B12N12 and B12P12 nanocages; a density functional theory investigation

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Bibliographic Details
Published in:Physica scripta 2024-10, Vol.99 (10)
Main Authors: Asif, Misbah, Abdul Hamid, Malai Haniti Sheikh, Bayach, Imene, Sheikh, Nadeem S, Ayub, Khurshid
Format: Article
Language:English
Subjects:
DFT
electrides
metalides
nonlinear optical response
transition metals
X12Y12 nanocages
Online Access:Get full text
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ISSN:0031-8949
1402-4896
DOI:10.1088/1402-4896/ad72a7