Changes in the Optical Properties of an M-Doped (M = Pt, Ti) hBN Sheet and CO<sub>2</sub> Capturing

Changes in the Optical Properties of an M-Doped (M = Pt, Ti) hBN Sheet and CO<sub>2</sub> Capturing

We performed ab initio DFT calculations to explore the optical properties of a hexagonal boron nitride (hBN) monolayer, doped with a Ti or a Pt atom. Ti doping increases the adsorption capability of the boron nitride surface for capturing CO<sub>2</sub>. Both doping types increase the op...

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Bibliographic Details
Main Authors: Juan Manuel Ramírez-de-Arellano, Ali Fransuani Jiménez-González, Luis Fernando Magaña
Format: Article
Language:English
Published: MDPI AG 2022-12-01
Series:Crystals
Subjects:
DFT
adsorption
CO<sub>2</sub>
ab initio calculations
boron nitride
2D materials
Online Access:https://www.mdpi.com/2073-4352/12/12/1773

Internet

https://www.mdpi.com/2073-4352/12/12/1773

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