Halogenation effect on physicochemical properties of Ti3C2 MXenes

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
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
Series:JPhys Materials
Subjects:
MXene
halogenation
density functional theory
physicochemical properties
mechanical properties
Online Access:https://doi.org/10.1088/2515-7639/acd8f3

Internet

https://doi.org/10.1088/2515-7639/acd8f3

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