Monatomic reactions with single vacancy monolayer h-BN: DFT studies

Hexagonal boron nitride (h-BN) has been widely utilized in various strategic applications. Fine-tuning properties of BN towards the desired application often involves ad-atom adsorption of modifying its geometries through creating surface defects. This work utilizes accurate DFT computations to inve...

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Bibliographic Details

Main Authors:	Nicholas Mondinos, Mohammednoor Altarawneh, Amun Amri, Willey Yun Hsien Liew, Gerrard Eddy Jai Poinern, Zhong-Tao Jiang
Format:	Article
Language:	en en
Published:	Royal Society of Chemistry 2023
Subjects:	QA75-76.95 Calculating machines TA401-492 Materials of engineering and construction. Mechanics of materials
Online Access:	https://eprints.ums.edu.my/id/eprint/38622/1/ABSTRACT.pdf https://eprints.ums.edu.my/id/eprint/38622/2/FULL%20TEXT.pdf https://eprints.ums.edu.my/id/eprint/38622/ https://doi.org/10.1039/d3ra05108k
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