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Related Experiment Video

Updated: Jun 9, 2025

Preparation of Large-area Vertical 2D Crystal Hetero-structures Through the Sulfurization of Transition Metal Films for Device Fabrication

Preparation of Large-area Vertical 2D Crystal Hetero-structures Through the Sulfurization of Transition Metal Films for Device Fabrication

Published on: November 28, 2017

Vanadium incorporation in 2D-layered MoSe₂.

João V B Del Piero¹, Roberto H Miwa², Wanderlã L Scopel¹

¹Departamento de Física, Universidade Federal do Espírito Santo-UFES, 29075-910 Vitória, ES, Brazil.

Journal of Physics. Condensed Matter : an Institute of Physics Journal

|October 23, 2024

Summary

Vanadium atom interactions with 2D layered materials (2DM) like MoSe2 alter their electronic and magnetic properties. This functionalization is key for developing new spintronic devices.

Keywords:

DFT MoSe2 Vanadium semiconductor/metal interface

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Last Updated: Jun 9, 2025

Preparation of Large-area Vertical 2D Crystal Hetero-structures Through the Sulfurization of Transition Metal Films for Device Fabrication

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Published on: November 28, 2017

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Area of Science:

Materials Science
Condensed Matter Physics
Quantum Chemistry

Background:

Experimental techniques now allow manipulation of two-dimensional layered materials (2DM) properties via foreign atom interaction.
Understanding these interactions is crucial for novel electronic applications.

Purpose of the Study:

To investigate the effects of Vanadium (V) atom interaction on the structural, energetic, electronic, and magnetic properties of monolayer and bilayer Molybdenum Diselenide (MoSe2).
To explore the potential of V-functionalized 2D materials for spintronic device applications.

Main Methods:

Utilized quantum mechanics calculations based on density functional theory (DFT).
Analyzed the interaction between Vanadium atoms and both monolayer and bilayer MoSe2.

Main Results:

Observed spin-polarized metallic behavior at high Vanadium concentrations.
Identified the emergence of a semiconductor/metal interface upon Vanadium adsorption on bilayer MoSe2.
Demonstrated significant changes in electronic and magnetic properties due to Vanadium functionalization.

Conclusions:

Functionalization of 2D materials, specifically MoSe2 with V atoms, significantly modifies their properties.
This approach offers a promising platform for designing advanced spintronic devices.