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We use all-atom molecular dynamics simulations informed by density functional theory calculations to investigate aqueous ion transport across sub-nanoporous monolayer molybdenum disulfide (MoS$_2$) membranes subject to varying tensile…

Applied Physics · Physics 2019-01-28 A. Fang , K. Kroenlein , A. Smolyanitsky

The freshwater crisis is a growing concern and a pressing problem for the world because of the increasing population, civilization, and rapid industrial growth. The water treatment facilities are able to supply less than 1% of the total…

Soft Condensed Matter · Physics 2023-11-28 Nudrat Nawal , Md Rashed Nizam , Priom Das , A K M Monjur Morshed

Using molecular dynamic simulations we show that single-layers of molybdenum disulfide (MoS$_2$) and graphene can effectively reject ions and allow high water permeability. Solutions of water and three cations with different valence…

Soft Condensed Matter · Physics 2018-03-14 Mateus Henrique Köhler , José Rafael Bordin , Marcia C. Barbosa

Ionic transport in nanofluidic channels holds great promise for applications such as single-molecule analysis, molecular manipulation, and energy harvesting. However, achieving precise control over ion transport remains a major challenge.…

MoS2 is one of the important members of transition metal dichalogenides which is emerging as a potential 2D atomically thin layered material for low power electronic and opto-electronic applications. However, for MoS2 a critical fundamental…

Mesoscale and Nanoscale Physics · Physics 2015-06-19 Anand P. S. Gaur , Satyaprakash Sahoo , Majid Ahmadi , Saroj P Dash , Maxime J-F Guinel , Ram S. Katiyar

Membranes are ubiquitous in nature with primary functions that include adaptive filtering and selective transport of chemical and molecular species. Being critical to cellular functions, they are also fundamental in many areas of science…

One of the most promising applications in nanoscience is the design of new materials to improve water permeability and selectivity of nanoporous membranes. Understanding the molecular architecture behind these fascinating structures and how…

Soft Condensed Matter · Physics 2021-09-10 João P. K. Abal , Rodrigo F. Dillenburg , Mateus H. Köhler , Marcia C. Barbosa

The electrical and optoelectronic properties of transition-metal dichalcogenides (TMDs), such as MoS2, are highly dependent on carrier doping and layer thickness. The ability to selectively control these two critical characteristics is of…

Materials Science · Physics 2023-01-26 Lei Zhang , Kun Liu , Fanyi Kong , Xue Han , Jianxun Dai , Mengmeng Wang , Changsen Sun , Huolin Huang , Lujun Pan , Dawei Li

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

Interface chemistry and defect formation in MoS2 thin films grown on single crystal substrates critically determine the electronic structure of MoS2 and thus can strongly modify material functionality relevant for many applications,…

We have synthesized MoS$_{2}$ incorporated $\alpha$-Fe$_{2}$O$_{3}$/ZnO nanocomposites by the hydrothermal process. The effect of incorporating ultrasonically exfoliated MoS$_{2}$ on the photocatalytic performance of…

Applied Physics · Physics 2021-11-16 Angkita Mistry Tama , Subrata Das , Sagar Dutta , M. D. I. Bhuyan , M. N. Islam , M. A. Basith

Electronic and dielectric properties of vapor-phase grown MoS_{2} have been investigated in metal/MoS_{2}/silicon capacitor structures by capacitance-voltage and conductancevoltage techniques. Analytical methods confirm the MoS_{2} layered…

Materials Science · Physics 2019-07-19 M. Belete , S. Kataria , U. Koch , M. Kruth , C. Engelhard , J. Mayer , O. Engström , M. C. Lemme

The two-dimensional layer of molybdenum disulfide (MoS2) has recently attracted much interest due to its direct-gap property and potential applications in optoelectronics and energy harvesting. However, the synthetic approach to obtain high…

Blue energy relies on the chemical potential difference generated between solutions of high and low ionic strength and would provide a sun-and-wind independent energy source at estuaries around the world. Converting this osmotic energy…

We demonstrate that the electrical property of a single layer molybdenum disulfide (MoS2) can be significantly tuned from semiconducting to insulating regime via controlled exposure to oxygen plasma. The mobility, on-current and resistance…

Nanomaterials are prone to influence by chemical adsorption because of their large surface to volume ratios. This enables sensitive detection of adsorbed chemical species which, in turn, can tune the property of the host material. Recent…

Materials Science · Physics 2015-06-18 Liangzhi Kou , Aijun Du , Changfeng Chen , Thomas Frauenheim

This work presents a detailed experimental investigation of the interaction between molecular hydrogen (H$_2$) and monolayer MoS$_2$ field effect transistors (MoS$_2$ FET), aiming for sensing application. The MoS$_2$ FET exhibits a response…

Non-volatile resistive switching is demonstrated in memristors with nanocrystalline molybdenum disulfide (MoS$_2$) as the active material. The vertical heterostructures consist of silicon, vertically aligned MoS$_2$ and chrome / gold metal…

Two-dimensional layered semiconductors have recently emerged as attractive building blocks for next-generation low-power non-volatile memories. However, challenges remain in the controllable sub-micron fabrication of bipolar resistively…

Because they may provide ultrathin, high-flux, and energy-efficient membranes for precise ionic and molecular sieving in aqueous solution, GO membranes (partially oxidized, stacked sheets of graphene) have shown great potential in water…

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