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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…

材料科学 · 物理学 2025-01-15 Khushboo Dange , Rachana Yogi , Alok Shukla

Layered transition metal dichalcogenide semiconductors are interesting for photovoltaics owing to their high solar absorbance and efficient carrier diffusion. Tungsten diselenide (WSe$_2$), in particular, has emerged as a promising solar…

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…

材料科学 · 物理学 2017-11-22 Nicolas Onofrio , David Guzman , Alejandro Strachan

Using first-principles calculations we show that the band gap of bilayer sheets of semiconducting transition metal dichalcogenides (TMDs) can be reduced smoothly by applying vertical compressive pressure. These materials undergo a universal…

材料科学 · 物理学 2015-06-04 Swastibrata Bhattacharyya , Abhishek K. Singh

Transition metal dichalcogenides (TMDs) attract significant attention due to their exceptional optical, excitonic, mechanical, and electronic properties. Nanostructured multilayer TMDs were recently shown to be highly promising for…

Two-dimensional (2D) semiconducting transition metal dichalcogenides (TMDs) are good candidates for high-performance flexible electronics. However, most demonstrations of such flexible field-effect transistors (FETs) to date have been on…

Atomically thin transition metal dichalcogenides (TMDCs) present a promising platform for numerous photonic applications due to excitonic spectral features, possibility to tune their constants by external gating, doping, or light, and…

Two-dimensional (2D) semiconducting transition metal dichalcogenides (TMDCs) and black phosphorus (BP) have beneficial electronic, optical, and physical properties at the few-layer limit. As atomically thin materials, 2D TMDCs and BP are…

材料科学 · 物理学 2016-03-30 Christopher R. Ryder , Joshua D. Wood , Spencer A. Wells , Mark C. Hersam

Transition metal dichalcogenides (TMDs) have emerged as a promising class of materials for spintronics, with the aim of promoting efficient spin-charge conversion (SCC) in TMD/ferromagnet (FM)-based devices. The MoTe$_2$ semimetal with…

Transition metal dichalcogenide (TMD) materials have emerged as promising candidates for thin film solar cells due to their wide bandgap range across the visible wavelengths, high absorption coefficient and ease of integration with both…

应用物理 · 物理学 2020-07-01 Elaine McVay , Ahmad Zubair , Yuxuan Lin , Amirhasan Nourbakhsh , Tomás Palacios

The unique electrical and optical properties of emerging two-dimensional transition metal dichal-cogenides (TMDs) present compelling advantages over conventional semiconductors, including Si, Ge, and GaAs. Nevertheless, realising the full…

材料科学 · 物理学 2025-07-23 Yusuf Kerem Bostan , Elanur Hut , Cem Sanga , Nadire Nayir , Ayse Erol , Yue Wang , Fahrettin Sarcan

The monolithic integration of electronics and photonics has attracted enormous attention due to its potential applications. However, the realization of such hybrid circuits has remained a challenge because it requires optical communication…

Thanks to their excellent properties of low cost, lightweight, portability, and conformity, flexible perovskite-based tandem solar cells show great potentials for energy harvesting applications, with flexible perovskite/c-silicon tandem…

Transition metal perovskite chalcogenides (TMPC) are a new class of semiconductor materials with broad tunability of physical properties due to their chemical and structural flexibility. Theoretical calculations show that band gaps of TMPCs…

Due to their physical properties and potential applications in energy conversion and storage, transition metal dichalcogenides (TMDs) have garnered substantial interest in recent years. Amongst this class of materials, TMDs based on…

The interest in obtaining high-quality monolayer transition metal dichalcogenides (TMDs) for optoelectronic device applications has been growing dramatically. However, the prevalence of defects and unwanted doping in these materials remains…

化学物理 · 物理学 2023-01-18 Zhaojun Li , Hope Bretscher , Akshay Rao

Sub-micrometer thin films are promising platforms for emerging flexible photovoltaic devices. Although the current market already produces efficient solar cells, the average wafer thickness of these devices remains far from the…

Atomically thin transition metal dichalcogenides (TMDs) hold promising potential for applications in optoelectronics. Due to their direct band gap and the extraordinarily strong Coulomb interaction, TMDs exhibit efficient light-matter…

材料科学 · 物理学 2018-01-23 Maja Feierabend , Ermin Malic , Andreas Knorr , Gunnar Berghäuser

As several photovoltaic materials experimentally approach the Shockley-Queisser limit, there has been a growing interest in unconventional materials and approaches with the potential to cross this efficiency barrier. One such candidate is…

应用物理 · 物理学 2022-02-11 Sayan Roy , Zixuan Hu , Sabre Kais , Peter Bermel

Transition metal dichalcogenides (TMDs) are two-dimensional (2D) materials with remarkable electrical, optical and chemical properties. One promising strategy to tailor TMD properties of TMDs is to create alloys through dopant-induced…

材料科学 · 物理学 2023-05-24 Mengqi Fang , Eui-Hyeok Yang