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Contact resistance of semiconducting transition metal dichalcogenides has been shown to decrease in lateral heterojunctions formed with their metallic phases but its origins remain elusive. Here we combine first principles and quantum…

Mesoscale and Nanoscale Physics · Physics 2020-03-04 Adam Pfeifle , Marcelo A. Kuroda

Strongly bound excitons confined in two-dimensional (2D) semiconductors are dipoles with a perfect in-plane orientation. In a vertical stack of semiconducting 2D crystals, such in-plane excitonic dipoles are expected to efficiently couple…

This work develops, discretizes, and validates a continuum model of a molybdenum disulfide (MoS$_2$) monolayer interacting with a periodic holey silicon nitride substrate via van der Waals (vdW) forces. The MoS$_2$ layer is modeled as a…

Computational Physics · Physics 2022-11-23 Moon-ki Choi , Marco Pasetto , Zhaoxiang Shen , Ellad B. Tadmor , David Kamensky

Two-dimensional (2D) layered materials are promising for replacing Si to overcome the scaling limit of recent ~5 nm-length metal-oxide-semiconductor field-effect transistors (MOSFETs). However, the insulator/2D channel interface severely…

Applied Physics · Physics 2020-06-20 N. Fang , S. Toyoda , T. Taniguchi , K. Watanabe , K. Nagashio

High-performance non-volatile resistive random access memories (ReRAM) and their small stimuli control are of immense interest for high-speed computation and big-data processing in the emergent Internet of Things (IOT) arena. Here, we…

MoS2 nanoparticles are proven catalysts for processes such as hydrodesulphurization and hydrogen evolution, but unravelling their atomic-scale structure under catalytic working conditions has remained significantly challenging. Ambient…

Magnetism in doped transition metal dichalcogenide monolayers and van der Waals interfaced materials have motivated the search for sustainable magnetic states at the nanoscale with the prospect of building devices for spintronics…

Materials Science · Physics 2025-08-05 Rohin Sharma , Diem Thi-Xuan Dang , Lilia M. Woods

Two-dimensional (2D) molybdenum disulfide (MoS2) has attracted significant attention because of its outstanding properties, suitable for application in several critical technologies like, solar cells, photocatalysis, lithium-ion batteries,…

Computational Physics · Physics 2018-06-13 Mostafa Hasanian , Bohayra Mortazavi , Alireza Ostadhossein , Timon Rabczuk , Adri C. T. van Duin

Ultrathin two-dimensional (2D) electronic systems at the interfaces of layered materials are highly desirable platforms for exploring of novel quantum phenomena and developing advanced device applications. Here, we investigate ultrathin…

Mesoscale and Nanoscale Physics · Physics 2025-03-31 Zengxing Lu , Jiatai Feng , Xuan Zheng , You-guo Shi , Run-Wei Li , Carmine Autieri , Mario Cuoco , Milan Radovic , Zhiming Wang

Biphasic interfaces are complex but fascinating regimes that display a number of properties distinct from those of the bulk. The CO$_2$-H$_2$O interface, in particular, has been the subject of a number of studies on account of its…

Materials Science · Physics 2025-02-13 Samuel G. H. Brookes , Venkat Kapil , Christoph Schran , Angelos Michaelides

Transition metal dichalcogenides (TMDs), such as MoS$_2$, are known to undergo a structural phase transformation as well as a change in the electronic conductivity upon Li intercalation. These properties make them candidates for…

Materials Science · Physics 2021-07-28 C. D. Spataru , M. D. Witman , R. E. Jones

The thickness-dependent band structure of MoS2 implies that discontinuities in energy bands exist at the interface of monolayer (1L) and multilayer (ML) thin films. The characteristics of such heterojunctions are analyzed here using current…

We investigate the phase diagram of a one-dimensional model of hardcore bosons or spinless fermions with tunable nearest-neighbor interactions. By introducing alternating repulsive and attractive interactions on consecutive bonds, we show…

Quantum Gases · Physics 2025-08-18 Rajashri Parida , Diptiman Sen , Tapan Mishra

Understanding the thermoelastic response of a nanostructure is crucial for the choice of materials and interfaces in electronic devices with improved and tailored transport properties, at the length scales of the present technology. Here we…

To take advantage of the exceptional properties of atomically thin transition metal dichalcogenides (TMDC) for advanced devices and catalysts, integration with metallic surfaces is an efficacious approach for facilitating charge carrier…

Mesoscale and Nanoscale Physics · Physics 2024-08-27 Tao Yang , Zhipeng Huang , Stephan Sleziona , Eckart Hasselbrink , Peter Kratzer , Marika Schleberger , R. Kramer Campen , Yujin Tong

In GO/MoSe2 semiconductor heterostructure, we have demonstrated a subtle control on the doping dynamics by modulating interlayer coupling through the combination of strain-reducing relative rotation of the constituting layers and variation…

It has been known that an anti-unitary symmetry such as time-reversal or charge conjugation is needed to realize Z2 topological phases in non-interacting systems. Topological insulators and superconducting nanowires are representative…

Mesoscale and Nanoscale Physics · Physics 2015-04-22 Ken Shiozaki , Masatoshi Sato , Kiyonori Gomi

Layered molecular materials and especially MoS2 are already accepted as promising candidates for nanoelectronics. In contrast to the bulk material, the observed electron mobility in single-layer MoS2 is unexpectedly low. Here we reveal the…

Materials Science · Physics 2013-05-30 Andrey N. Enyashin , Maya Bar-Sadan , Lothar Houben , Gotthard Seifert

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

By analytically solving some simple models of phase-ordering kinetics, we suggest a mechanism for the onset of non-equilibrium behaviour in colloid-polymer mixtures. These mixtures can function as models of atomic systems; their physics…

Soft Condensed Matter · Physics 2016-08-31 R. M. L. Evans , W. C. K. Poon