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Related papers: Roadmap and direction towards high performance MoS…

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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

The transition to sustainable green hydrogen production demands innovative electrocatalyst design strategies that can overcome current technological limitations. This study introduces a comprehensive data-driven approach to predicting and…

Computational Physics · Physics 2024-12-18 Vipin K E , Prahallad Padhan

An electrocatalyst is needed to efficiently lower the reaction barriers to produce hydrogen through the H2 evolution reaction (HER). Recently, two-dimensional transition metal dichalcogenides (2D TMDs), such as the pure 2D monolayer MoTe2…

Materials Science · Physics 2024-04-24 Vikash Kumar , Srimanta Pakhira

The low concentration of proton donors in alkaline HER, subsequently leading to the extra water adsorption and dissociation steps, identifies the value of active sites (edge and basal sites) and crystal phases in lowering the extra…

Materials Science · Physics 2021-10-05 Zhexu Xi

The vapor phase synthesis of two-dimensional transition-metal dichalcogenides (MX2) and their heterostructures is often poorly reproducible and sensitive to uncontrolled environmental humidity. It was recently realized that water vapor can…

Materials Science · Physics 2019-11-26 Yuzhou Zhao , Song Jin

Molybdenum disulfide (MoS$_2$) is a prototypical layered transition-metal dichalcogenide whose electrocatalytic performance is governed by a delicate balance between crystallinity, defect density, and electronic conductivity. Here we report…

High-efficiency organic photocathodes, based on regioregular poly(3-hexylthiophene) and phenyl-C61-butyric acid methyl ester (rr-P3HT:PCBM) bulk heterojunction sandwiched between charge-selective layers, are emerging as efficient and…

TMDs are a new family of 2D materials with features that make them appealing for potential applications in nanomaterials science and engineering. Although, the edges of the 2D TMDs show excellent electrocatalytic performance, their basal…

Materials Science · Physics 2022-09-20 Shrish Nath Upadhyay , Srimanta Pakhira

The crystal structure of MoS$_2$ with strong covalent bonds in plane and weak Van der Waals interactions out of plane gives rise to interesting properties for applications such as solid lubrication, optoelectronics, and catalysis, which can…

Materials Science · Physics 2021-07-28 Rijan Karkee , Enrique Guerrero , David A. Strubbe

Two-dimensional (2D) boron monolayers have been successfully synthesized on silver substrate very recently. Their potential application is thus of great significance. In this work, we explore the possibility of boron monolayers (BMs) as…

Chemical Physics · Physics 2016-11-24 Li Shi , Chongyi Ling , Yixin Ouyang , Jinlan Wang

Alkaline water electrolysis is considered a commercially viable option for large-scale hydrogen production. However, this process still faces challenges due to the high voltage (>1.65 V at 10 mA cm$^{-2}$) and its limited stability at…

The chemical inertness of the defect-free basal plane confers environmental stability to MoS2 single-layers, but it also limits their chemical versatility and catalytic activity. The stability of the pristine MoS2 basal plane against…

Synthesis of advanced inorganic materials with minimum number of trials is of paramount importance towards the acceleration of inorganic materials development. The enormous complexity involved in existing multi-variable synthesis methods…

Materials Science · Physics 2020-11-02 Bijun Tang , Yuhao Lu , Jiadong Zhou , Han Wang , Prafful Golani , Manzhang Xu , Quan Xu , Cuntai Guan , Zheng Liu

High throughput characterization and processing techniques are becoming increasingly necessary to navigate multivariable, data-driven design challenges for sensors and electronic devices. For two-dimensional materials, device performance is…

The present study reports the catalytic action of two-dimensional (2D) layered materials (MoS2 and WS2) for improving the de/re-hydrogenation kinetics of MgH2. The MgH2 start desorbing at 277 C with a hydrogen storage capacity of 5.95 wt%…

Materials Science · Physics 2023-01-10 S. K. Verma , M. A. Shaz , T. P. Yadav

High electronic transport and reasonable chemical stability of molybdenum disulfide (MoS$_2$) make it very suitable for electrochemical applications. However, its energy storage capacity is still low compared with other nanostructures. In…

Applied Physics · Physics 2022-08-19 Marzieh Rashidi , Foad Ghasemi

The increasing prevalence of pharmaceutical contaminants within the aquatic environment has generated considerable environmental concerns, especially regarding persistent anticancer medications like the kinase inhibitor sorafenib (SRF),…

Materials Science · Physics 2026-03-31 I. Agnes Felicia Roy , Kuo Yuan Hwa , Aravindan Santhan , Slava V Rotkin

By a combination of the first-principles calculations and climbing image nudged elastic band method (ciNEB) we investigate structure stabilities and hydrogen evolution reaction (HER) performance of monolayer 2H-CrS2. The results suggest the…

Materials Science · Physics 2020-10-06 Feng Sun , Aijun Hong , Wenda Zhou , Cailei Yuan , Wei Zhang

Semiconductor heterostructures provide a powerful platform for the engineering of excitons. Here we report the excitonic properties of two-dimensional (2D) heterostructures that consist of monolayer MoS2 and WS2 stacked epitaxially or…

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…