First-principles investigations of metal–semiconductor MoSH@MoS₂ van der Waals heterostructures

Abstract

Two-dimensional (2D) metal-semiconductor heterostructures play a critical role in the development of modern electronics technology, offering a platform for tailored electronic behavior and enhanced device performance. Herein, we construct a...

Computational investigations of the metal/semiconductor NbS2/boron phosphide van der Waals heterostructure: effects of an electric field

“…This finding indicates that among the five stacking patterns SP-II is the most energetically favorable. Additionally, the values of the E b have the same magnitude with those in other vdW heterostructures, 23,33,36,50,51 indicating that the NbS 2 and BP layers are bonded together via the weak vdW interactions. It should be noted that the weak vdW interactions between the NbS 2 and the BP layers preserve their intrinsic properties and enable the experimental synthesis of the heterostructure.…”

“…Recently, a plethora of 2D M-S heterostructures formed by stacking 2D metals on top of 2D semiconductors have been designed and discovered, such as graphene-based M-S heterostructures [22][23][24][25][26][27][28][29][30][31][32] and Janus MoSH-based M-S heterostructures. [33][34][35][36] Recently, 2D NbS 2 , a member of the TMDs family, has emerged as an effective 2D electrical contact material with other 2D semiconductors to create a 2D M-S contact with lower contact barrier and contact resistance. [37][38][39][40] Experimentally, the NbS 2 -based M-S can be synthesized by different strategies, including one-step chemical vapor deposition (CVD) 38 and epitaxial growth.…”

“…Recently, a plethora of 2D M–S heterostructures formed by stacking 2D metals on top of 2D semiconductors have been designed and discovered, such as graphene-based M–S heterostructures 22–32 and Janus MoSH-based M–S heterostructures. 33–36…”

Impact of Copper(II)-Imidazole Complex Modification on Polycrystalline TiO2: Insights into Formation, Characterization, and Photocatalytic Performance

“…The ability to tune the surface characteristics of these microparticles is of particular significance, as it allows researchers and engineers to precisely control their performance in various settings [8,9]. By manipulating the interaction between the surface transition metal ions and the semiconductor lattice, specific functionalities can be engineered, making these microparticles versatile building blocks for advanced technologies [10][11][12][13]. Moreover, the exploration of their unique features will unveil opportunities for transformative advances in diverse fields, ranging from electronics and energy to catalysis and biomedicine [14].…”