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Two-dimensional (2D) transition metal dichalcogenide (TMD) van der Waals heterostructures (vdWHs) hold promise for high-performance electronics, but their large-scale synthesis remains limited by size constraints and alloying…

Materials Science · Physics 2026-02-26 Luneng Zhao , Hongsheng Liu , Yuan Chang , Xiaoran Shi , Jijun Zhao , Feng Ding , Junfeng Gao

Chemical activation of the intrinsically inert basal planes of transition metal dichalcogenides (TMDs) is crucial for developing high-efficiency electrocatalysts for energy technology applications. Here we report the discovery of an…

Metal-organic frameworks (MOFs) provide a versatile and tailorable material platform that embody many desirable attributes for photocatalytic water-splitting. The approach taken in this study was to use Density Functional Theory (DFT) to…

Chemical Physics · Physics 2015-10-19 Terence Musho , Jiangtan Li , Nianqiang Wu

Two-dimensional (2D) Janus Transition Metal Dichalcogenides (TMDs) have attracted much interest due to their exciting quantum properties arising from their unique two-faced structure, broken-mirror symmetry, and consequent colossal…

Molybdenum disulfide (MoS2) is a highly attractive 2D material due to its interesting electronic properties. Recent experimental advances confirm the possibility of further tuning the electronic properties of MoS2 through the fabrication of…

Materials Science · Physics 2017-04-17 B Mortazavi , A Ostadhossein , T Rabczuk , ACT van Duin

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…

Heterostructures (HSs) formed by the transition-metal dichalcogenides (TMDCs) materials have shown great promise in next-generation optoelectronic and photonic applications. An artificially twisted HS, allows us to manipulate the optical,…

The realization of novel heterostructures arising from the combination of nanomaterials is an effective way to modify their physicochemical and electrocatalytic properties, giving them enhanced characteristics stemming from their individual…

Materials Science · Physics 2022-01-17 Antonia Kagkoura , Raul Arenal , Nikos Tagmatarchis

Electrochemical reactions for hydrogen and hydrogen peroxide production are essential for energy conversion to diminish energy crisis, but still lack efficient electrocatalysts. Development of non\-noble metal bifunctional electrocatalysts…

Materials Science · Physics 2023-05-02 Antonia Kagkoura , Christina Stangel , Raul Arenal , Nikos Tagmatarchis

Electron doping is an excellent tuning knob to explore different phases of matter in two-dimensional (2D) materials. For example, tuning the Fermi level at a van Hove singularity in twisted bilayer graphene can enhance electron-electron…

Mesoscale and Nanoscale Physics · Physics 2024-05-24 Aitor Garcia-Ruiz , Ming-Hao Liu

The metastable T' phase in monolayer MoS2 exhibits remarkable persistence despite a strong thermodynamic driving force toward the stable H phase. Using machine learning-accelerated molecular dynamics and first-principles calculations, we…

Materials Science · Physics 2026-04-28 Pai Li , Ziao Tian , ZengFeng Di , Feng Ding

Single-atom catalysts (SACs) have attracted ever-growing interest due to their high atom-utilization efficiency and potential for cost-effective of hydrogen production. However, enhancing the hydrogen evolution reaction (HER) performance…

Materials Science · Physics 2025-03-11 Feng Sun , Xuqiang Zhang , Jiangtao Chen , Yun Zhao , Yan Li

The so-called Boltzmann Tyranny defines the fundamental thermionic limit of the subthreshold slope (SS) of a metal-oxide-semiconductor field-effect transistor (MOSFET) at 60 mV/dec at room temperature and, therefore, precludes the lowering…

The hydrogen evolution reaction (HER) is central to sustainable hydrogen production, and nitrogen coordinated dual atom catalysts (DACs) offer a promising route to noble metal activity at low cost. Yet their vast compositional and…

Atomically thin, single-crystalline transition metal dichalcogenides (TMDCs) grown via chemical vapor deposition (CVD) on sapphire substrates exhibit exceptional mechanical and electrical properties, positioning them as excellent channel…

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

The objective of our research is to investigate the electrocatalytic properties of novel metal-free quantum dots (QDs) composed of the recently discovered 2D material penta-CN2, with the aim of replacing costly and scarce catalysts such as…

Materials Science · Physics 2024-04-19 Rupali Jindal , Rachana Yogi , Alok Shukla

Integration of semiconducting transition metal dichalcogenides (TMDs) into functional optoelectronic circuitries requires an understanding of the charge transfer across the interface between the TMD and the contacting material. Here, we use…

Hydrogen is a promising energy carrier and key agent for many industrial chemical processes1. One method for generating hydrogen sustainably is via the hydrogen evolution reaction (HER), in which electrochemical reduction of protons is…

Hydrogen evolution reaction (HER) has emerged as a promising technique for the production of clean and sustainable energy. In recent years, researchers have been exploring various materials for efficient HER activity. In this study, we…

Materials Science · Physics 2024-04-16 Abhishek Sebastian , Pragna R