Predictions on Structural and Electronic Properties to Synthesize Bismuth-Carbon Compounds in Different Periodicities

Predictions on Structural and Electronic Properties to Synthesize Bismuth-Carbon Compounds in Different Periodicities

This work was carried out to explore the compounds of bismuth with carbon using density functional theory (DFT)-based computations. The structures of the compounds BiC, BiC<sub>2</sub>, BiC<sub>3</sub>, Bi<sub>2</sub>C<sub>3</sub>, BiC<sub>5</...

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Bibliographic Details
Main Authors: Abdul Majid, Tariq M. Younes, Alia Jabeen, Hira Batool, Mohammad Alkhedher, Sayed M. ElDin
Format: Article
Language:English
Published: MDPI AG 2022-11-01
Series:Materials
Subjects:
BiC compounds
density functional theory
structural properties
electronic properties
unit cell
supercell
Online Access:https://www.mdpi.com/1996-1944/15/22/8150

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