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Related papers: Self-optimizing layered hydrogen evolution catalys…

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Recently, 2D JTMDs with asymmetric electronic structures are inviting an intense research interest in modern science and technology. Using the first principles-based periodic hybrid dispersion-corrected Density Functional Theory (DFT-D)…

Materials Science · Physics 2022-09-16 Srimanta Pakhira , Shrish Nath Upadhyay

Hydrogen is key in reducing greenhouse gas emissions in materials production. At the same time, it significantly affects mechanical properties, often causing unwanted embrittlement. However, rather than solely addressing these…

Transition-metal-based layered double hydroxides (TM-LDHs) nanosheets are promising electrocatalysts in the renewable electrochemical energy conversion system, which are regarded as alternatives to noble metal-based materials. In this…

Applied Physics · Physics 2024-03-26 Yuchen Wang , Man Zhang , Yaoyu Liu , Zhikeng Zheng , Biying Liu , Meng Chen , Guoqing Guan , Kai Yan

Hydrogen is considered an alternative source of energy to fossil fuels for the fulfilment of current energy demands. Photocatalysis initiates the hydrogen evolution reaction which is believed to be the greenest approach to produce hydrogen…

Facing with grave climate change and enormous energy demand, catalyzer gets more and more important due to its significant effect on reducing fossil fuels consumption. Hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) by…

Materials Science · Physics 2023-09-07 Yuan Chang , Panlong Zhai , Jungang Hou , Jijun Zhao , Junfeng Gao

Synthesis of monolayer MoS2 is essential for fulfilling the potential of MoS2 in catalysis, optoelectronics and valleytronics, etc. Herein, we report for the first time the scalable growth of high quality, domain size tunable (edge length…

Phosphorene, a monolayer of bulk black phosphorus, is promising for light harvest owing to its high charge mobility and tunable direct band gap covering a broad spectral range of light. Here, via atomic-scale first-principles simulations,…

Materials Science · Physics 2019-10-10 Yongqing Cai , Junfeng Gao , Shuai Chen , Qingqing Ke , Gang Zhang , Yong-Wei Zhang

Two-dimensional (2D) layered nanomaterials heterostructures, arising from the combination of 2D materials with other low-dimensional species, feature large surface area to volume ratio, which provides a high density of active sites for…

Materials Science · Physics 2025-02-19 Mengjiao Wang , Michal Langer , Roberto Altieri , Matteo Crisci , Silvio Osella , Teresa Gatti

Hydrogen peroxide (H2O2) stands as one of the foremost utilized oxidizing agents in modern times. The established method for its production involves the intricate and costly anthraquinone process. However, a promising alternative pathway is…

Developing cost-effective and high-performance electrodes is critical for advancing hydrogen (H$_2$) production through electrochemical water splitting. In this study, we present a novel electrode design by depositing a $\beta$-MnO$_2$…

In this study, we address the significant challenge of overcoming limitations in catalytic efficiency for the oxygen evolution reaction (OER). The current linear scaling relationships hinder the optimization of electrocatalytic performance.…

Materials Science · Physics 2023-06-06 Swetarekha Ram , Gwan Hyun Choi , Albert S. Lee , Seung-Cheol Lee , Satadeep Bhattacharjee

Two-dimensional materials supported by single atom catalysis (SACs) are foreseen to replace platinum for large-scale industrial scalability of sustainable hydrogen generation. Here, a series of metal (Al, Sc, Ti, V, Cr, Mn, Fe, Ni, Cu, Zn)…

Materials Science · Physics 2022-11-04 M. V. Jyothirmai , D. Roshini , B. Moses Abraham , Jayant K. Singh

Oxygen evolution reaction (OER) with intractable high overpotential is the rate-limiting step for rechargeable metal-air battery, water electrolysis systems, and solar fuels devices. There exists a spin state transition from spin singlet…

Materials Science · Physics 2020-04-14 Xiaoning Li , Zhenxiang Cheng , Xiaolin Wang

Two-dimensional (2D) materials, such as transition metal dichalcogenides (TMDCs) in the 2H or 1T crystal phases, are promising (electro)catalyst candidates due to their high surface to volume ratio and composition of low-cost, abundant…

Materials Science · Physics 2025-02-11 Mohammad Amin Akhound , Karsten Wedel Jacobsen , Kristian Sommer Thygesen

The synthesis of transition metal dichalcogenides (TMDs) has been a primary focus for 2D nanomaterial research over the last 10 years, however, only a small fraction of this research has been concentrated on transition metal ditellurides.…

Sulfide-based photocatalysts (PC) are promising materials for efficiently producing hydrogen (H2). This chapter aims to provide a detailed survey of the recent advancements in sulfide-based photocatalysts and emphasize their enhanced…

Materials Science · Physics 2024-12-10 Suresh Chandra Baral , Dilip Sasmal , Mitali Hupele , Sradhanjali Lenka , Somaditya Sen

This investigation demonstrates that the pentagonal PdTe2 (penta-PdTe2) monolayer is a highly tunable two-dimensional (2D) photocatalyst, characterized by the bandgap of 1.75 eV and high hole mobility. Using density functional theory…

Materials Science · Physics 2026-03-31 Narender Kumar , Shambhu Bhandari , Dario Alfè , Nacir Tit , Ravindra Pandey

Hydrogen has been identified as a clean, zero carbon, sustainable, and promising energy source for the future, and electrochemical water splitting for hydrogen production is an emission-free, efficient energy conversion technology. A major…

Advanced materials for electrocatalytic and photoelectrochemical water splitting are central to the area of renewable energy. Here, we developed a solvothermal synthesis of MoS2 nanoparticles selectively on reduced graphene oxide (RGO)…

Materials Science · Physics 2011-04-18 Yanguang Li , Hailiang Wang , Liming Xie , Yongye Liang , Guosong Hong , Hongjie Dai

Large scale implementation of electrochemical water splitting for hydrogen evolution requires cheap and efficient catalysts to replace expensive platinum. Molybdenum disulfide is one of the most promising alternative catalysts but its…

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