Abstract

Two-dimensional (2D) MoS <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sub> was grown on AlGaN(GaN) substrates by chemical vapor deposition (CVD) and 2D-3D MoS <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sub> -AlGaN(GaN) heterostructures were formed. The MoS <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sub> crystal on AlGaN surface has a mixed and irregular shape including single and multiple layers, while the single layer of triangular MoS <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sub> is basically prepared on GaN surface. Combined with theoretical first-principles analysis, it is found the adsorption of AlGaN to MoS <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sub> is lower than that of GaN, which leads to the deposition of MoS <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sub> molecules on AlGaN surface, forming multilayer shapes. In addition, Both the MoS <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sub> -AlGaN(GaN) heterostructures exhibit indirect band gaps and broad-band light absorption performances.

Highlights

  • A S ONE of the important members of two-dimensional (2D) transition metal chalcogenides, 2D semiconducting MoS2 has high carrier mobility, excellent chemical stability and thermodynamic stability, which is very suitable for electronic and optoelectronic device applications [1], [2]

  • III-nitiride bulk compound semiconductors occupy an important position in the semiconductor device industry due to their wide applications in power devices [3], light emitting diodes (LEDs) [4], laser diodes (LDs) [5], and photodetectors [6]

  • Hexagonal wurtzite structure (WZ) GaN has high thermodynamic, mechanical and chemical stability, and its wide direct band gap of 3.4–3.5 eV is widely used in short-wavelength blue and green optoelectronic devices [7]–[9]

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Summary

Introduction

A S ONE of the important members of two-dimensional (2D) transition metal chalcogenides, 2D semiconducting MoS2 has high carrier mobility, excellent chemical stability and thermodynamic stability, which is very suitable for electronic and optoelectronic device applications [1], [2]. In this work, we directly grew 2D MoS2 on AlGaN and GaN surfaces by chemical vapor deposition (CVD) method to form 2D-3D heterostructure. The binding energy, electronic energy band, and absorption properties of the 2D MoS2-AlGaN (GaN) hybrid heterostructures were investigated by first-principles calculations, and the interlayer interaction of the heterostructures was explored.

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