Related Experiment Video
Updated: Sep 30, 2025

Residue-Free Fabrication of van der Waals Heterostructures of Two-Dimensional Materials
Published on: July 18, 2025
Effect of the sulfur termination on the properties of Hf2CO2 MXene
Chewki Ougherb1, Tarik Ouahrani1, Michael Badawi2
1Laboratoire de Physique Théorique, Université de Tlemcen, 1300, Algeria. chewki2002@yahoo.fr.
Abstract:
A computational study was carried out to investigate the effect of surface termination on Janus Hf2COS MXene by substituting partly the O-terminated layer with S atoms. Our predictions confirm that this chemical strategy allows one to tailor the band gap of MXenes. Indeed, the semiconducting character of Hf2CO2 MXene decreases by the exchange of O by S atoms. From a structural point of view, dynamical, mechanical, and thermal analysis confirm the thermodynamic stability of the Janus Hf2COS MXene, which shows metallic character. Furthermore, topological chemical analysis indicates an ionic nature of Hf2CO2 MXene that tends to be reduced by increasing the concentration of S atoms, promoting a covalent character. Shortly, the present study illustrates how the properties of MXenes can be tailored by functionalizing them with different chemical terminations.
More Related Videos
09:37Imine Metathesis by Silica-Supported Catalysts Using the Methodology of Surface Organometallic Chemistry
Published on: October 18, 2019
12:05Preparation of Hydrophobic Metal-Organic Frameworks via Plasma Enhanced Chemical Vapor Deposition of Perfluoroalkanes for the Removal of Ammonia
Published on: October 10, 2013
Related Concept Videos
Preparation and Reactions of Sulfides
Hybridization of Atomic Orbitals I
VSEPR Theory and the Effect of Lone Pairs
Spin–Spin Coupling Constant: Overview
Qualitatively, any spin plus-half nucleus polarizes the spins of its electrons to the minus-half state. Consequently, the paired electron in the hydrogen–carbon bond must...
Inductive Effects on Chemical Shift: Overview
Electrophilic Addition of HX to 1,3-Butadiene: Thermodynamic vs Kinetic Control