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Density functional theory calculations are used to show that it is possible to dope semiconducting transition metal dichalcogenides (TMD) such as MoS$_2$ and WS$_2$ with electrons and/or holes either by chemical substitution or by…

Mesoscale and Nanoscale Physics · Physics 2014-09-16 A. Carvalho , A. H. Castro Neto

The p-n diodes represent the most fundamental device building block for diverse optoelectronic functions, but are difficult to achieve in atomically thin transition metal dichalcogenides (TMDs) due to the inability to selectively dope them…

Mesoscale and Nanoscale Physics · Physics 2014-09-17 Rui Cheng , Dehui Li , Hailong Zhou , Chen Wang , Anxiang Yin , Shan Jiang , Yuan Liu , Yu Chen , Yu Huang , Xiangfeng Duan

Two-dimensional layered materials, such as transition metal dichalcogenides (TMDCs), are promising materials for future electronics owing to their unique electronic properties. With the presence of a band gap, atomically thin gate defined…

Mesoscale and Nanoscale Physics · Physics 2015-10-28 Xiang-Xiang Song , Di Liu , Vahid Mosallanejad , Jie You , Tian-Yi Han , Dian-Teng Chen , Hai-Ou Li , Gang Cao , Ming Xiao , Guang-Can Guo , Guo-Ping Guo

Low-dimensional materials have emerged as promising hosts for quantum emitters, whose emission typically arises from either strain-induced band bending or defect-induced two-level systems. Among these materials, transition metal…

Quantum Physics · Physics 2026-05-19 Chanaprom Cholsuk , Sujin Suwanna , Tobias Vogl

Two dimensional materials such as graphene and transition metal dichalcogenides (TMDs) are promising for optical modulation, detection, and light emission since their material properties can be tuned on-demand via electrostatic doping. The…

Atomically thin semiconductors such as transition metal dichalcogenide (TMD) monolayers exhibit a very strong Coulomb interaction, giving rise to a rich exciton landscape. This makes these materials highly attractive for efficient and…

Mesoscale and Nanoscale Physics · Physics 2022-11-02 Raul Perea-Causin , Daniel Erkensten , Jamie M. Fitzgerald , Joshua J. P. Thompson , Roberto Rosati , Samuel Brem , Ermin Malic

Heterostructures of layered transition metal dichalcogenides (TMDs) host long-lived, tunable excitons, making them intriguing candidates for material-based quantum information applications. Light absorption in these systems induces a…

Materials Science · Physics 2023-08-25 Tomer Amit , Sivan Refaely-Abramson

Studying the atomic structure of intrinsic defects in two-dimensional transition metal dichalcogenides is difficult since they damage quickly under the intense electron irradiation in transmission electron microscopy (TEM). However, this…

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

We have studied the optical conductivity of two-dimensional (2D) semiconducting transition metal dichalcogenides (STMDC) using ab-initio density functional theory (DFT). We find that this class of materials presents large optical response…

Materials Science · Physics 2013-11-06 A. Carvalho , R. M. Ribeiro , A. H. Castro Neto

Transition metal dichalcogenides (TMDs) show great promise as absorber materials in high-specific-power (i.e. high-power-per-weight) solar cells, due to their high optical absorption, desirable band gaps, and self-passivated surfaces.…

Applied Physics · Physics 2023-12-25 Koosha Nassiri Nazif , Frederick U. Nitta , Alwin Daus , Krishna C. Saraswat , Eric Pop

Transition metal dichalcogenides (TMDs) are quasi-two-dimensional layered compounds exhibiting strongly competing charge-density wave (CDW) and superconducting (SC) order parameters (OPs). The weak van der Waals interlayer bonding between…

Superconductivity · Physics 2015-05-26 Richard A. Klemm

Hydrogen is a crucial source of green energy and has been extensively studied for its potential usage in fuel cells. The advent of two-dimensional crystals (2DCs) has taken hydrogen research to new heights, enabling it to tunnel through…

Materials Science · Physics 2023-08-08 Ismail Eren , Yun An , Agnieszka B. Kuc

Transition metal dichalcogenides (TMDs) combine interesting optical and spintronic properties in an atomically-thin material, where the light polarization can be used to control the spin and valley degrees-of-freedom for the development of…

Mesoscale and Nanoscale Physics · Physics 2021-03-10 Carmem M. Gilardoni , Freddie Hendriks , Caspar H. van der Wal , Marcos H. D. Guimarães

Two-dimensional (2D) materials, such as transition metal dichalcogenides (TMDCs) in the 2H or 1T crystal phases, are promising (electro)catalyst candidates due to their high surface to volume ratio and composition of low-cost, abundant…

Materials Science · Physics 2025-02-11 Mohammad Amin Akhound , Karsten Wedel Jacobsen , Kristian Sommer Thygesen

Two-dimensional transition-metal dichalcogenides (TMDs) are gaining increasing attention as alternative to graphene for their very high potential in optoelectronics applications. Here we consider two prototypical metallic 2D TMDs, NbSe$_2$…

Materials Science · Physics 2015-06-18 Pierluigi Cudazzo , Matteo Gatti , Angel Rubio

Two-dimensional layered materials, such as transition metal dichalcogenides (TMDs), possess intrinsic van der Waals gap at the layer interface allowing for remarkable tunability of the optoelectronic features via external intercalation of…

Materials Science · Physics 2024-11-25 Srihari M. Kastuar , Christopher Rzepa , Srinivas Rangarajan , Chinedu E. Ekuma

In recent years, layered transition-metal dichalcogenides (TMDs) have attracted considerable attention because of their rich physics; for example, these materials exhibit superconductivity, charge density waves, and the valley Hall effect.…

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…

Materials Science · Physics 2025-03-13 Yu-Hsiu Lin , William P. Comaskey , Jose L. Mendoza-Cortes

Lateral heterostructures of 2D transition metal dichalcogenide offer a powerful platform to investigate photonic and electronic phenomena at atomically sharp interfaces. However, their controlled engineering, including tuning lateral domain…