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We present a comprehensive first-principles study of the structural and elastic properties of 2H-MX$_2$ transition metal dichalcogenides (TMDs) (M = W, Mo, Ta, Nb; X = S, Se). Using density functional theory with various van der Waals…

材料科学 · 物理学 2025-05-12 S. Azadi , A. Azhar , R. V. Belosludov , T. D. Kühne , M. S. Bahramy

First-principle calculations with different exchange-correlation functionals, including LDA, PBE and vdW-DF functional in form of optB88-vdW, have been performed to investigate the electronic and elastic properties of two dimensional…

材料科学 · 物理学 2015-08-31 Fan Zeng , Wei-Bing Zhang , Bi-Yu Tang

Transition metal dichalcogenides (TMDCs) belong to technologically important compounds. We have explored the structural, elastic, bonding, optoelectronic and some thermo-physical properties of ZrX2 (X = S, Se, Te) TMDCs in details via…

材料科学 · 物理学 2021-02-25 Md. Mahamudujjaman , Md. Asif Afzal , R. S. Islam , S. H. Naqib

Two-dimensional (2D) semiconducting transition metal dichalcogenides (TMDs) can withstand a large deformation without fracture or inelastic relaxation, making them attractive for application in novel strain-engineered and flexible…

材料科学 · 物理学 2016-01-18 Junwen Li , Nikhil V. Medhekar , Vivek B. Shenoy

Transition-metal dichalcogenides (TMDCs) are important class of two-dimensional (2D) layered materials for electronic and optoelectronic applications, due to their ultimate body thickness, sizable and tunable bandgap, and decent theoretical…

材料科学 · 物理学 2017-01-10 Zhihao Yu , Zhun-Yong Ong , Songlin Li , Jian-Bin Xu , Gang Zhang , Yong-Wei Zhang , Yi Shi , Xinran Wang

We present systematic measurements of the mechanical properties of few unit cell (UC) thick exfoliated crystals of a high-T$_c$ cuprate superconductor Bi$_2$Sr$_2$CaCu$_2$O$_{8+\delta}$. We determine the elastic properties of these crystals…

介观与纳米尺度物理 · 物理学 2019-10-08 Sudhir Kumar Sahu , Digambar Jangade , Arumugam Thamizhavel , Mandar M. Deshmukh , Vibhor Singh

Layered two-dimensional (2D) materials exhibit unique properties, expanding opportunities in material design. We investigate MX$_2$ transition metal dichalcogenides (TMDCs) (M = Mo, W; X = S, Se, Te) in homo- and heterobilayers with…

材料科学 · 物理学 2025-03-13 Yu-Hsiu Lin , William P. Comaskey , Jose L. Mendoza-Cortes

This article explores the recent advancements in atomically thin two-dimensional transition metal dichalcogenides (2D TMDs) and their potential applications in various fields, including nanoelectronics, photonics, sensing, energy storage,…

材料科学 · 物理学 2025-09-17 Mitesh B. Solanki , Margi Jani

Among two-dimensional (2D) materials, transition metal dichalcogenides (TMDs) stand out for their remarkable electronic, optical, and chemical properties. In addition to being variable bandgap semiconductor materials, the atomic thinness…

材料科学 · 物理学 2023-10-04 Md. Jobayer Aziz , Md Akibul Islam , Md. Rezwanul Karim , Arafat Ahmed Bhuiyan

Single-layer transition metal dichalcogenides (TMDCs) can adopt two distinct structures corresponding to different coordination of the metal atoms. TMDCs adopting the T-type structure exhibit a rich and diverse set of phenomena, including…

介观与纳米尺度物理 · 物理学 2020-07-29 Daniel T. Larson , Wei Chen , Steven B. Torrisi , Jennifer Coulter , Shiang Fang , Efthimios Kaxiras

Optical and electrical properties of two-dimensional transition metal dichalcogenides (TMDCs) grown by chemical vapor deposition (CVD) are strongly determined by their microstructure. Consequently, the visualization of spatial structural…

Layered transition metal dichalcogenides (TMDCs) host a plethora of interesting physical phenomena ranging from charge order to superconductivity. By introducing magnetic ions into 2H-NbS$_2$, the material forms a family of magnetic…

Atomically thin, single-crystalline transition metal dichalcogenides (TMDCs) grown via chemical vapor deposition (CVD) on sapphire substrates exhibit exceptional mechanical and electrical properties, positioning them as excellent channel…

We carried out fully-atomistic reactive molecular dynamics simulations to study the elastic properties and fracture patterns of transition metal dichalcogenide (TMD) MoX2 (X=S, Se, Te) membranes, in their 2H and 1T phases, within the…

Transition metal dichalcogenides (TMDCs) have garnered significant interest in optoelectronics, owing to their scalability and thickness-dependent electrical and optical properties. In particular, thin films of TMDCs could be used in…

材料科学 · 物理学 2023-12-19 Enesio Marinho , Cesar E. P. Villegas , Pedro Venezuela , Alexandre R. Rocha

With advances in exfoliation and synthetic techniques, atomically thin films of semiconducting transition metal dichalcogenides have recently been isolated and characterized. Their two-dimensional structure, coupled with a direct band gap…

介观与纳米尺度物理 · 物理学 2014-02-04 Deep Jariwala , Vinod K. Sangwan , Lincoln J. Lauhon , Tobin J. Marks , Mark C. Hersam

The research field of two dimensional (2D) materials strongly relies on optical microscopy characterization tools to identify atomically thin materials and to determine their number of layers. Moreover, optical microscopy-based techniques…

Increasing demands for renewable sources of energy has been a major driving force for developing efficient thermoelectric materials. Two-dimensional (2D) transition-metal dichalcogenides (TMDC) have emerged as promising candidates for…

材料科学 · 物理学 2023-05-24 Sathwik Bharadwaj , Ashwin Ramasubramaniam , L. R. Ram-Mohan

Two dimensional transition metal dichalcogenides (TMDC) have very interesting properties for optoelectronic devices. In this work we theoretically investigate and predict that superlattices comprised of MoS$_{2}$ and WSe$_{2}$ multilayers…

材料科学 · 物理学 2013-10-29 Yong-Hong Zhao , Feng Yang , Jian Wang , Hong Guo , Wei Ji

Here, we propose a method to determine the thickness of the most common transition metal dichalcogenides (TMDCs) placed on the surface of transparent stamps, used for the deterministic placement of two-dimensional materials, by analyzing…

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