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Related papers: Enhancing heat transport in MoS2 via defect-engine…

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Two-dimensional (2-D) transition metal dichalcogenides (TMDs) have shown numerous interesting physical and chemical properties, making them promising materials for electronic, optoelectronic, and energy applications. Tuning thermal…

Materials Science · Physics 2016-09-07 Xiaokun Gu , Ronggui Yang

The coexistence of semiconducting (2H) and metallic (1T) phases of MoS$_{2}$ monolayers have further pushed their strong potential for applications in the next generation of electronic devices based on the two-dimensional lateral…

Computational Physics · Physics 2021-12-01 Mohammad Bahmani , Mahdi Ghorbani-Asl , Thomas Frauenheim

Atomically thin two-dimensional (2D) semiconductors such as molybdenum disulphide (MoS2) hold great promise in electrical, optical, and mechanical devices and display novel physical phenomena such as coupled spin-valley physics and the…

Structural defects are widely regarded as detrimental to the optoelectronic properties of monolayer transition metal dichalcogenides, leading to concerted efforts to eliminate defects via improved materials growth or post-growth…

Transition metal dichalcogenide monolayers and heterostructures are highly tunable material systems that provide excellent models for physical phenomena at the two-dimensional (2D) limit. While most studies to date have focused on electrons…

Structural defects in the molybdenum disulfide (MoS2) monolayer are widely known for strongly altering its properties. Therefore, a deep understanding of these structural defects and how they affect MoS2 electronic properties is of…

Over the past few years, there has been a growing interest in layered transition metal dichalcogenides (TMD) such as molybdenum disulfide (MoS2). Most studies so far have focused on the electronic and optoelectronic properties of…

Mesoscale and Nanoscale Physics · Physics 2016-10-03 Morteza Kayyalha , Jesse Maassen , Mark Lundstrom , Li Shi , Yong P. Chen

Two-dimensional (2D) molybdenum disulfide (MoS2) has attracted significant attention because of its outstanding properties, suitable for application in several critical technologies like, solar cells, photocatalysis, lithium-ion batteries,…

Computational Physics · Physics 2018-06-13 Mostafa Hasanian , Bohayra Mortazavi , Alireza Ostadhossein , Timon Rabczuk , Adri C. T. van Duin

Defects can strongly influence the electronic, optical and mechanical properties of 2D materials, making defect stability under different thermodynamic conditions crucial for material-property engineering. In this paper, we present an…

Materials Science · Physics 2023-08-10 Alaa Akkoush , Yair Litman , Mariana Rossi

Ideal monolayers of common semiconducting transition metal dichalcogenides (TMDCs) such as MoS$_2$, WS$_2$, MoSe$_2$, and WSe$_2$ possess many similar electronic properties. As it is the case for all semiconductors, however, the physical…

Various types of defects in MoS2 monolayers and their influence on the electronic structure and transport properties have been studied using the Density-Functional based Tight-Binding method in conjunction with the Green's Function…

Materials Science · Physics 2014-03-04 Mahdi Ghorbani-Asl , Andrey N. Enyashin , Agnisezka Kuc , Gotthard Seifert , Thomas Heine

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

Defects in atomically thin materials can drive new functionalities and expand applications to multifunctional systems that are monolithically integrated. An ability to control formation of defects during the synthesis process is an…

We demonstrate that the electrical property of a single layer molybdenum disulfide (MoS2) can be significantly tuned from semiconducting to insulating regime via controlled exposure to oxygen plasma. The mobility, on-current and resistance…

Two dimensional (2D) materials such as graphene and transition metal dichalcogenides (TMDC) have received extensive research interests and investigations in the past decade. In this research, we report the first experimental measurement of…

Materials Science · Physics 2024-12-10 Jun Liu , Mengqi Fang , Eui-Hyeok Yang , Xian Zhang

Engineering thermal transport in two dimensional materials, alloys and heterostructures is critical for the design of next-generation flexible optoelectronic and energy harvesting devices. Direct experimental characterization of lattice…

Materials Science · Physics 2021-02-22 Aravind Krishnamoorthy , Nitish Baradwaj , Aiichiro Nakano , Rajiv K. Kalia , Priya Vashishta

We theoretically explore the effect of metal and disulphur vacancies on electronic and optical properties of MoS$_2$ and WS$_2$ monolayers based on a Slater-Koster tight-binding model and including the spin-orbit coupling. We show that the…

Mesoscale and Nanoscale Physics · Physics 2018-05-25 Saboura Salehi , Alireza Saffarzadeh

We present a computational study on the impact of line defects on the electronic properties of monolayer MoS2. Four different kinds of line defects with Mo and S as the bridging atoms, consistent with recent theoretical and experimental…

Materials Science · Physics 2015-02-13 Amretashis Sengupta , Dipankar Saha , Thomas A. Niehaus , Santanu Mahapatra

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

Single layer molybdenum disulfide (SLMoS2), a semiconductor possesses intrinsic bandgap and high electron mobility, has attracted great attention due to its unique electronic, optical, mechanical and thermal properties. Although thermal…

Mesoscale and Nanoscale Physics · Physics 2019-06-14 Han Meng , Dengke Ma , Xiaoxiang Yu , Lifa Zhang , Zhijia Sun , Nuo Yang