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Heterostructures composed of pentacene (PEN) molecules and transition metal dichalchogenides (TMDs) are promising materials for small, flexible and lightweight photovoltaic devices and various other optoelectronic applications. The effects…

Materials Science · Physics 2023-12-21 Edward Black , Juliana Morbec

Transition metal dichalcogenide (TMD) monolayers attract great attention due to their specific structural, electronic and mechanical properties. The formation of their lateral heterostructures allows a new degree of flexibility in…

Materials Science · Physics 2020-09-29 Sadegh Imani Yengejeh , William Wen , Yun Wang

This work presents a first-principles study of the optoelectronic properties of vertically-stacked bilayer heterostructures composed of 2D transition-metal dichalcogenides (TMDs). The calculations are performed using the density-functional…

Materials Science · Physics 2025-01-15 Khushboo Dange , Rachana Yogi , Alok Shukla

Interfaces formed between monolayer transition metal dichalcogenides (TMDs) and (metallo)phthalocyanine molecules are promising in energy applications and provide a platform for studying mixed-dimensional molecule-semiconductor…

Materials Science · Physics 2021-12-13 Olugbenga Adeniran , Zhen-Fei Liu

Transition metal dichalcogenides (TMD) monolayers, holding potential as good sunlight absorbers, are promising materials for next-generation optoelectronic devices. They may enable ultrathin photovoltaic(PV) devices thanks to their…

Materials Science · Physics 2022-11-28 C. Attaccalite , M. S. Prete , M. Palummo , O. Pulci

The recent emergence of a wide variety of two-dimensional (2D) materials has created new opportunities for device concepts and applications. In particular, the availability of semiconducting transition metal dichalcogenides, in addition to…

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…

Materials Science · Physics 2023-05-24 Sathwik Bharadwaj , Ashwin Ramasubramaniam , L. R. Ram-Mohan

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

Two-dimensional (2D) transition metal dichalcogenides (TMDs) have recently been shown to demonstrate non-volatile resistive switching (NVRS), offering significant advantages such as high-density integration and low energy consumption due to…

Materials Science · Physics 2025-07-29 Brian H. Lee , Jameela Fatheema , Deji Akinwande , Wennie Wang

Stacked van der Waals heterostructures based on transition metal dichalcogenides (TMDs) exhibit a rich variety of exotic interfacial phenomena. Substituting one component with an organic semiconductor (OSC) enables the design of hybrid…

Heterostructures composed of transition metal dichalcogenides (TMDCs) and organic molecules have been extensively explored for optoelectronic devices. To maximize their application potential, it is essential to investigate the electronic…

Materials Science · Physics 2026-03-04 Hsin-Mei Ho , Michael Lorke , Peter Kratzer

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…

Materials Science · Physics 2016-01-18 Junwen Li , Nikhil V. Medhekar , Vivek B. Shenoy

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

Two-dimensional transition metal dichalcogenides (TMDCs) have recently attracted attention due to their superlative optical and electronic properties. In particular, their extraordinary optical absorption and semiconducting band gap have…

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…

Transition metal dichalcogenides (TMD) are currently among the most interesting two-dimensional (2D) materials due to their outstanding properties. MoTe2 involves attractive polymorphic TMD crystals which can exist in three different 2D…

Computational Physics · Physics 2018-02-05 Bohayra Mortazavi , Golibjon R Berdiyorov , Meysam Makaremi , Timon Rabczuk

Two-dimensional transition metal dichalcogenides (TMDs) usually exist in two or more structural phases with different physical properties, and can be repeatedly switched between these phases via different stimuli, making them potentially…

Materials Science · Physics 2020-04-29 Priyanka Manchanda , Pankaj Kumar , Pratibha Dev

Two-dimensional (2D) transition metal dichalcogenide (TMD) nanosheets exhibit remarkable electronic and optical properties. The 2D features, sizable bandgaps, and recent advances in the synthesis, characterization, and device fabrication of…

Materials Science · Physics 2015-02-04 Xin Zhang , Xiao-Fen Qiao , Wei Shi , Jiang-Bin Wu , De-Sheng Jiang , Ping-Heng Tan

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

The transition-metal dichalcogenide (TMDC) in the family of $\mathrm{MX}_2$ ($\mathrm{M}=\mathrm{Mo},\mathrm{W}$; $\mathrm{X}=\mathrm{S},\mathrm{Se}$) and the graphene monolayer are atomically thin semiconductors and semimetal,…

Materials Science · Physics 2022-06-15 Cheng-Hsien Yang , Shu-Tong Chang
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