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Efficient and selective CO2 electroreduction into value-added chemicals and fuels emerged as a significant approach for CO2 conversion, however, it relies on catalysts with controllable product selectivity and reaction paths. In this work,…

Mesoscale and Nanoscale Physics · Physics 2022-10-26 Wei Xun , Xiao Yang , Qing-Song Jiang , Ming-Jun Wang , Yin-Zhong Wu , Ping Li

Development of cost-effective hydrogen evolution reaction (HER) catalysts with outstanding catalytic activity, replacing cost-prohibitive noble metal-based catalysts, is critical for practical green hydrogen production. A popular strategy…

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…

Two-dimensional (2D) monolayer pristine MoS$_2$ transition metal dichalcogenide (TMD) is the most studied material because of its promising aspects as nonprecious electrocatalyst for hydrogen evolution reaction (HER). Previous studies have…

Materials Science · Physics 2022-06-22 Joy Ekka , Shrish Nath Upadhyay , Frerich J. Keil , Srimanta Pakhira

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

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…

Earth-abundant two-dimensional (2D) pristine transition metal dichalcogenides (TMDs) have emerged as a superlative class of materials for several applications in electronic devices, energy storage devices, gas sensing, etc., and they have…

Materials Science · Physics 2021-06-29 Joy Ekka , Shrish Nath Upadhyay , Verma Bunty Sardar , Srimanta Pakhira

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

Transition metal dichalcogenides are cheap and earth-abundant candidates for the replacement of precious metals as catalyst materials. Experimental measurements of the hydrogen evolution reaction (HER), for example, have demonstrated…

Materials Science · Physics 2023-06-21 Sander Ø. Hanslin , Hannes Jónsson , Jaakko Akola

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

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…

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

Hydrogen as the cleanest energy carrier is a promising alternative renewable resource to fossil fuels. There is an ever-increasing interest in exploring efficient and cost-effective approaches of hydrogen production. Recent experiments have…

Materials Science · Physics 2023-08-29 Zheng Shu , Yongqing Cai

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 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…

Developing single atom catalysts (SACs) for chemical reactions of vital importance in renewable energy sector has emerged as a need of the hour. In this perspective, transition metal based SACs with monolayer phosphorous (phosphorene) as…

Materials Science · Physics 2020-03-13 Akhil S. Nair , Rajeev Ahuja , Biswarup Pathak

Two-dimensional transition metal dichalcogenides are among the most promising materials for water-splitting catalysts. While a variety of methods have been applied to promote the hydrogen evolution reaction on the transition metal…

Materials Science · Physics 2023-06-16 Sangjin Lee , Sujin Lee , Chaewon Kim , Young-Kyu Han

H$_2$ evolution reaction (HER) requires an electrocatalyst to reduce the reaction barriers for the efficient production of H$_2$. Platinum-group metal (PGM) elements such as Pt, Pd, etc. and their derivatives show excellent electrocatalytic…

Materials Science · Physics 2022-09-16 Srimanta Pakhira , Vikash Kumar

Topological states of matter and their corresponding properties are classical research topics in condensed matter physics. Quite recently, the application of materials that feature these states has been extended to the field of…

Topological quantum catalysts (TQCs), where metallic surface states from nontrivial band topology serve as the mechanism to favor heterogeneous catalysis processes, have been well demonstrated in three dimensional (3D) examples but have…

Materials Science · Physics 2023-01-19 Lirong Wang , Xiaoming Zhang , Weizhen Meng , Ying Liu , Xuefang Dai , Guodong Liu
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