Assessment of alkali and alkaline earth metals doped cubanes as high-performance nonlinear optical materials by first-principles study

Assessment of alkali and alkaline earth metals doped cubanes as high-performance nonlinear optical materials by first-principles study

Novel organic materials have played a tremendous role in developing high-performance nonlinear optical materials. Herein, the geometric, electronic and nonlinear optical properties of designed alkali (Li, Na, and K) and alkaline earth metals (Be, Mg, and Ca) doped cubane (C8H8) complexes have been e...

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Bibliographic Details
Main Authors: Javaria Naeem, Rehana Bano, Khurshid Ayub, Tariq Mahmood, Sobia Tabassum, Anam Arooj, Mazhar Amjad Gilani
Format: Article
Language:English
Published: Elsevier 2022-09-01
Series:Journal of Science: Advanced Materials and Devices
Subjects:
Cubane
Doping
Nonlinear optical
Alkali metals
Alkaline earth metals
First-principles study
Online Access:http://www.sciencedirect.com/science/article/pii/S2468217922000417

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