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First-principles calculations, within the framework of density functional theory, have been performed on the well-studied 2H and the less explored 1T$^{\prime}$ phase of single-layer MoS$_{2}$. We have addressed the strain-induced…

Materials Science · Physics 2023-03-01 Saumen Chaudhuri , A. K. Das , G. P. Das , B. N. Dev

The phase transitions among polymorphic two-dimensional (2D) transition metal dichalcogenides (TMDs) have attracted increasing attention for their potential in enabling distinct functionalities in the same material for making integrated…

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

We use synchrotron x-ray diffraction and electrical transport under pressure to probe both the magnetism and the structure of single crystal NiS2 across its Mott-Hubbard transition. In the insulator, the low-temperature antiferromagnetic…

Strongly Correlated Electrons · Physics 2011-09-02 Yejun Feng , R. Jaramillo , A. Banerjee , J. M. Honig , T. F. Rosenbaum

Two-dimensional lateral heterojunctions are basic components for low-power and flexible optoelectronics. In contrast to monolayers, devices based on few-layer lateral heterostructures could offer superior performance due to their lower…

1T$^{\prime}$ phase of the monolayer transition metal dichalcogenides has recently attracted attention for its potential in nanoelectronic applications. We theoretically prove the topological behavior and phase transition of…

Mesoscale and Nanoscale Physics · Physics 2025-03-19 Mohammad Mortezaei Nobahari , Mahmood Rezaei Roknabadi

We study the free energy across a stratified media made by graphene (G) and/or molybdenum disulfide (MoS2). The flux depends not only on the number of G/MoS2 layers but also on the priority of graphene layer respect to MoS2 layer in the…

Mesoscale and Nanoscale Physics · Physics 2017-09-19 Hamidreza Simchi

Controlling excitons and their transport in two-dimensional (2D) transition metal dichalcogenides (TMDs) heterostructures is central to advancing photonics and electronics on-chip integration. We investigate the controlled generation and…

Mixed-dimensional van der Waals heterojunctions comprising polymer and twodimensional (2D) semiconductors have many characteristics of an ideal charge separation interface for optoelectronic and photonic applications. However, the…

Materials Science · Physics 2018-05-25 Chengmei Zhong , Vinod K. Sangwan , Chen Wang , Hadallia Bergeron , Mark C. Hersam , Emily A. Weiss

We investigate a vertically-stacked hybrid photodiode consisting of a thin n-type molybdenum disulfide (MoS$_{2}$) layer transferred onto p-type silicon. The fabrication is scalable as the MoS$_{2}$ is grown by a controlled and tunable…

Monolayer transition-metal dichalcogenides (TMDCs) present high second-order optical nonlinearity, which is extremely desirable for, e.g., frequency conversion in nonlinear photonic devices. On the other hand, the atomic thickness of 2D…

Mesoscale and Nanoscale Physics · Physics 2020-11-17 Pilar G. Vianna , Aline dos S. Almeida , Rodrigo M. Gerosa , Dario A. Bahamon , Christiano J. S. de Matos

MXene-based heterostructures have received considerable interest owing to their unique properties. Herein, we examine various heterostructures of a prototypical MXene and graphene using density functional theory. We find that the adhesion…

Mesoscale and Nanoscale Physics · Physics 2019-02-27 Rui Li , Weiwei Sun , Cheng Zhan , Paul R. C. Kent , De-en Jiang

Next-generation electronics calls for new materials beyond silicon for increased functionality, performance, and scaling in integrated circuits. Carbon nanotubes and semiconductor nanowires are at the forefront of these materials, but have…

Materials Science · Physics 2016-07-15 Mervin Zhao , Yu Ye , Yimo Han , Yang Xia , Hanyu Zhu , Yuan Wang , David A. Muller , Xiang Zhang

A profound understanding of terahertz (THz) spin and charge currents in heterostructures involving ferromagnets (FMs) and two-dimensional (2D) materials promises emerging applications in high-speed sensing and data processing. Yet,…

Integration of two-dimensional (2D) van der Waals (vdWs) materials with non-2D materials to realize mixed-dimensional heterostructures has potential for creating functional devices beyond the reach of existing materials and has long been a…

Materials Science · Physics 2022-12-06 Ya-Ning Ren , Mo-Han Zhang , Qi Zheng , Lin He

Monolithic realization of metallic 1T and semiconducting 2H polymorphic phases makes MoS2 a potential candidate for future microelectronic circuits. Though co-existence of these phases has been reported, a method for engineering a stable 1T…

Mesoscale and Nanoscale Physics · Physics 2018-08-22 Chithra H. Sharma , Ananthu P. Surendran , Abin Varghese , Madhu Thalakulam*

The chemical activity of ionized hydrogen describes the potency of protons in solution and is used to define the pH with wide-ranging applications in biological and materials sciences. Measuring pH with graphene field-effect transistors…

Applied Physics · Physics 2022-10-26 Nicholas E. Fuhr , Mohamed Azize , David J. Bishop

Aiming to improve fabrication protocols for boron nitride and graphene (h-BNG) lateral heterostructures, we studied the growth of h-BNG thin films on platinum and their behavior in an oxygen environment. We employed a surface science…

Two-dimensional transition metal-dichalcogenides are emerging as efficient and cost-effective electrocatalysts for hydrogen evolution reaction (HER). However, only the edge sites of their trigonal prismatic phase show HER-electrocatalytic…

Monolayer Molybdenum disulfide (MoS2), a two-dimensional crystal with a direct bandgap, is a promising candidate for 2D nanoelectronic devices complementing graphene. There have been recent attempts to produce MoS2 layers via chemical and…

Materials Science · Physics 2011-11-23 Yongjie Zhan , Zheng Liu , Sina Najmaei , Pulickel M. Ajayan , Jun Lou