Halogenation effect on physicochemical properties of Ti3C2 MXenes

Halogenated MXenes have been experimentally demonstrated to be promising two-dimensional materials for a wide range of applicability. However, their physicochemical properties are largely unknown at the atomic level. In this study, we applied density functional theory (DFT) to theoretically investig...

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Bibliographic Details

Published in:	JPhys Materials
Main Authors:	Seyedeh Alieh Kazemi, Samuel Akinlolu Ogunkunle, Oscar Allen, William Wen, Alan Wee-Chung Liew, Shiwei Yin, Yun Wang
Format:	Article
Language:	English
Published:	IOP Publishing 2023-01-01
Subjects:	MXene halogenation density functional theory physicochemical properties mechanical properties
Online Access:	https://doi.org/10.1088/2515-7639/acd8f3