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MoS2 and WS2 layered transition-metal dichalcogenides are indirect band gap semiconductors in their bulk forms. Thinned to a monolayer, they undergo a transition and become direct band gap materials. Layered structures of that kind can be…

Materials Science · Physics 2013-02-15 Nourdine Zibouche , Agnieszka Kuc , Thomas Heine

Successful doping of single-layer transition metal dichalcogenides (TMDs) remains a formidable barrier to their incorporation into a range of technologies. We use density functional theory to study doping of molybdenum and tungsten…

Materials Science · Physics 2017-11-22 Nicolas Onofrio , David Guzman , Alejandro Strachan

The mechanical and electronic properties of transition metal dichalcogenide (TMD) monolayers corresponding to transition groups IV, VI, and X are explored under mechanical bending from first principles calculations using the strongly…

Materials Science · Physics 2019-07-19 Niraj K. Nepal , Liping Yu , Qimin Yan , Adrienn Ruzsinszky

The strong light-matter interaction in monolayer transition metal dichalcogenides (TMDs) is promising for nanoscale optoelectronics with their direct band gap nature and the ultra-fast radiative decay of the strongly bound excitons these…

Mesoscale and Nanoscale Physics · Physics 2019-05-27 Medha Dandu , Rabindra Biswas , Sarthak Das , Sangeeth Kallatt , Suman Chatterjee , Mehak Mahajan , Varun Raghunathan , Kausik Majumdar

We performed high-throughput density functional theory calculations of optical matrix elements between band edges across a diverse set of non-magnetic two-dimensional monolayers with direct band gaps. Materials were ranked as potential…

Materials Science · Physics 2025-08-15 A. F. Gómez-Bastidas , Karthik Sriram , A. C. Garcia-Castro , Oleg Rubel

We calculate from first principles the electronic structure and optical properties of a number of transition metal dichalcogenide (TMD) bilayer heterostructures consisting of MoS2 layers sandwiched with WS2, MoSe2, MoTe2, BN, or graphene…

Mesoscale and Nanoscale Physics · Physics 2013-09-12 Hannu-Pekka Komsa , Arkady V. Krasheninnikov

Monolayers of transition metal dichalcogenides (TMDs) exhibit bright photoluminescence, a desirable property for light-emitting diodes and single-photon emitters. Because the emission intensity is heavily influenced by factors such as…

Mesoscale and Nanoscale Physics · Physics 2026-01-06 Juri G. Crimmann , Sander J. W. Vonk , Yannik M. Glauser , Gabriel Nagamine , David J. Norris

We demonstrate a novel electro-luminescence device in which GaN-based $\mu$-LEDs are used to trigger the emission spectra of monolayers of transition metal dichalcogenides, which are deposited directly on the $\mu$-LED surface. A special…

Applied Physics · Physics 2022-06-28 K. Oreszczuk , J. Slawinska , A. Rodek , M. Potemski , C. Skierbiszewski , P. Kossacki

Dichalcogenides with the common formula MX2 are layered materials with electrical properties that range from semiconducting to superconducting. Here, we describe optimal imaging conditions for optical detection of ultrathin, two-dimensional…

Mesoscale and Nanoscale Physics · Physics 2011-03-01 M. M. Benameur , B. Radisavljevic , S. Sahoo , H. Berger , A. Kis

Localized electronic states formed inside the band gap of a semiconductor due to crystal defects can be detrimental to the material's optoelectronic properties. Semiconductors with lower tendency to form defect induced deep gap states are…

Transition metal dichalcogenides (TMDs) are a branch of two-dimensional materials which in addition to having an easy-to-exfoliate layered structure, also host semiconducting, metallic, superconducting, and topological properties in various…

Superconductivity · Physics 2023-01-25 Suvodeep Paul , Saswata Talukdar , Ravi Shankar Singh , Surajit Saha

In the last few years, interest in monomolecular layers of transition metal dichalcogenides (TMDs) has been driven by their unusual electronic and optical properties, which are very attractive for designing functional elements of new…

Mesoscale and Nanoscale Physics · Physics 2021-12-08 P. L. Pekh , P. V. Ratnikov , A. P. Silin

Two-dimensional transition metal dichalcogenides (TMDs) represent an ideal testbench for the search of materials by design, because their optoelectronic properties can be manipulated through surface engineering and molecular…

Atomically thin two-dimensional (2D) materials can be vertically stacked with van der Waals bonds, which enable interlayer coupling. In the particular case of transition metal dichalcogenide (TMD) bilayers, the relative direction between…

Two-dimensional (2D) transition metal dicakcoganite (TMD) materials have unique electronic and optical properties. The electronic band structures of the materials alter as a function of layer numbers, which results in modifications to the…

Applied Physics · Physics 2025-02-18 Bilal Bera Meric , Ayse Erol , Fahrettin Sarcan

With the decrease of the dimensions of electronic devices, the role played by electrical contacts is ever increasing, eventually coming to dominate the overall device volume and total resistance. This is especially problematic for…

Mesoscale and Nanoscale Physics · Physics 2018-07-03 Marcos H. D. Guimaraes , Hui Gao , Yimo Han , Kibum Kang , Saien Xie , Cheol-Joo Kim , David A. Muller , Daniel C. Ralph , Jiwoong Park

Two-dimensional (2D) materials beyond graphene such as transition metal dichalcogenides (TMDs) have unique mechanical, optical and electronic properties with promising applications in flexible devices, catalysis and sensing. Optical imaging…

The interaction between light and matter can be enhanced by spatially concentrating the light field to boost the photon energy density and increasing the photon dwell time to prolong energy transfer between light and matter. Traditionally,…

In recent years, a lot of scientific research effort has been put forth for the investigation of Transition Metal Dichalcogenides (TMDC) and other Two Dimensional (2D) materials like Graphene, Boron Nitride. Theoretical investigation on the…

Computational Physics · Physics 2018-02-27 Kanak Datta , Quazi D. M. Khosru

Monolayer transition metal dichalcogenides (TMDs) have the potential to unlock novel photonic and chemical technologies if their optoelectronic properties can be understood and controlled. Yet, recent work has offered contradictory…