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Two-dimensional transition metal dichalcogenides (TMDCs) have been extensively investigated due to their tunable properties. In this work, density functional theory (DFT) is employed to investigate the adsorption behavior and sensing…

Materials Science · Physics 2026-01-22 Neeraj Thakur , Anjna Bhardwaj , Arun Kumar , Amarjeet Singh

Structural defects in 2D-transition metal dichalcogenides are critical in modulating their optical and electrical behavior. Nevertheless, precise defect control within the monolayer regime poses a significant challenge. Herein, a…

Mesoscale and Nanoscale Physics · Physics 2025-09-30 Anagha Gopinath , Faiha Mujeeb , Subhabrata Dhar , Jyoti Mohanty

Ultrathin layers of semiconducting molybdenum disulfide (MoS2) offer significant prospects in future electronic and optoelectronic applications. Although an increasing number of experiments bring light into the electronic transport…

Mesoscale and Nanoscale Physics · Physics 2014-07-10 Jing Wu , Hennrik Schmidt , Amara Kiran Kumar , Xiangfan Xu , Goki Eda , Barbaros Özyilmaz

Intrinsic electron- and hole-phonon interactions are investigated in monolayer transition metal dichalcogenides MX$_2$ (M=Mo,W; X=S,Se) based on a density functional theory formalism. Due to their structural similarities, all four materials…

Mesoscale and Nanoscale Physics · Physics 2015-06-22 Zhenghe Jin , Xiaodong Li , Jeffrey Thomas Mullen , Ki Wook Kim

The remarkable properties of (1T-)TiSe$_2$ among the transition metal dichalcogenides have attracted the attention of many researchers due to its peculiar behavior during the charge density wave (CDW) transition. Therefore, it is highly…

Materials Science · Physics 2024-02-08 Shin-ichiro Tanaka , Shigemasa Suga , Keiji Ueno , Keisuke Fukutani , Fumihiko Matsui

The properties of two-dimensional (2D) materials have been extensively studied and applied in various applications. Our interest is to theoretically investigate the thermal transport and thermoelectric properties of the 2D transition metal…

Materials Science · Physics 2024-02-16 Radityo Wisesa , Anugrah Azhar , Edi Suprayoga

Integration of semiconducting transition metal dichalcogenides (TMDs) into functional optoelectronic circuitries requires an understanding of the charge transfer across the interface between the TMD and the contacting material. Here, we use…

Excellent gate electrostatics in field effect transistors (FETs) based on two-dimensional transition metal dichalcogenide (2D TMD) channels can dramatically decrease static power dissipation. Energy efficient FETs operate in enhancement…

Molybdenum disulfide (MoS2) is a highly attractive 2D material due to its interesting electronic properties. Recent experimental advances confirm the possibility of further tuning the electronic properties of MoS2 through the fabrication of…

Materials Science · Physics 2017-04-17 B Mortazavi , A Ostadhossein , T Rabczuk , ACT van Duin

Electronic and dielectric properties of vapor-phase grown MoS_{2} have been investigated in metal/MoS_{2}/silicon capacitor structures by capacitance-voltage and conductancevoltage techniques. Analytical methods confirm the MoS_{2} layered…

Materials Science · Physics 2019-07-19 M. Belete , S. Kataria , U. Koch , M. Kruth , C. Engelhard , J. Mayer , O. Engström , M. C. Lemme

We study electrical transport properties in exfoliated molybdenum disulfide (MoS2) back-gated field effect transistors at low drain bias and under different illumination intensities. It is found that photoconductive and photogating effect…

Interface chemistry and defect formation in MoS2 thin films grown on single crystal substrates critically determine the electronic structure of MoS2 and thus can strongly modify material functionality relevant for many applications,…

Field-effect transistors (FETs) with non-covalently functionalised molybdenum disulfide (MoS2) channels grown by chemical vapour deposition (CVD) on SiO2 are reported. The dangling-bond-free surface of MoS2 was functionalised with a…

Atomically thin semiconducting MoS2 is of great interest for high-performance flexible electronic and optoelectronic devices. Initial measurements using back-gated field-effect transistor (FET) structures on SiO2 yielded mobility of 1-50…

Mesoscale and Nanoscale Physics · Physics 2015-06-12 Michael S. Fuhrer , James Hone

Transition metal dichalcogenides (TMDCs) are promising materials for applications in nanoelectronics and correlated fields, where their metallic edge states play a fundamental role in the electronic transport. In this work, we investigate…

Mesoscale and Nanoscale Physics · Physics 2023-01-24 Armando Pezo , Matheus P. Lima , Marcio Costa , Adalberto Fazzio

Low-dimensional (LD) transition metal dichalcogenides (TMDs) in the form of nanoflakes, which consist of one or several layers, are the subject of intensive fundamental and applied research. Due to the size-induced transition from a bulk to…

We use density functional theory to explore the possibility of making the semiconducting transition-metal dichalcogenide MoS$_2$ ferromagnetic by introducing holes into the narrow Mo $d$ band that forms the top of the valence band. In the…

Materials Science · Physics 2019-12-25 Yuqiang Gao , Nirmal Ganguli , Paul J. Kelly

Semiconducting 2D materials, such as transition metal dichalcogenides (TMDs), are emerging in nanomechanics, optoelectronics, and thermal transport. In each of these fields, perfect control over 2D material properties including strain,…

Electrical and optical characterization of two-dimensional/three-dimensional (2D/3D) p-molybdenum disulfide/n-gallium nitride (p-MoS2/n-GaN) heterojunction diodes are reported. Devices were fabricated on high-quality, large-area p-MoS2…

Atomically thin semiconductors have versatile future applications in the information and communication technologies for the ultimate miniaturization of electronic components. In particular, the ongoing research demands not only a…