Effect of ZrS2 load single/dual‐atom catalysts on the hydrogen evolution reaction: A first‐principles study
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.27010
Abstract: The hydrogen evolution effect of ZrS2 carrier loaded with transition metal single‐atom (SA) was explored by first‐principles method. ZrS2 was constructed with transition metal single‐atom and dual‐atom. The structure–activity relationship of supported single‐atom catalysts was… read more here.
Keywords: effect; atom; dual atom; zrs2 ... See more keywords
Computational insight of ZrS2/graphene heterobilayer as an efficient anode material
Sign Up to like & getrecommendations! Published in 2021 at "Applied Surface Science"
DOI: 10.1016/j.apsusc.2021.149304
Abstract: Abstract A density functional theory-based study is carried out to examine the electrochemical performance of ZrS2 and graphene monolayers and ZrS2/graphene heterobilayer for anodic applications in rechargeable Li ion batteries (LIBs). The energetic and dynamic… read more here.
Keywords: zrs2; anode material; zrs2 graphene; heterobilayer ... See more keywords
Enhanced electrocatalytic N2-to-NH3 fixation by ZrS2 nanofibers with a sulfur vacancy.
Sign Up to like & getrecommendations! Published in 2020 at "Chemical communications"
DOI: 10.1039/d0cc05917j
Abstract: Industrially, large-scale NH3 production is achieved by the Haber-Bosch process, which operates under harsh reaction conditions with abundant energy consumption and CO2 emission. Electrochemical N2 reduction is an eco-friendly and energy-saving method for artificial N2… read more here.
Keywords: zrs2; zrs2 nanofibers; sulfur vacancy; nh3 fixation ... See more keywords
First principles study on structural, electronic and optical properties of HfS2(1−x)Se2x and ZrS2(1−x)Se2x ternary alloys
Sign Up to like & getrecommendations! Published in 2022 at "RSC Advances"
DOI: 10.1039/d2ra01905a
Abstract: Alloying 2D transition metal dichalcogenides (TMDs) with dopants to achieve ternary alloys is as an efficient and scalable solution for tuning the electronic and optical properties of two-dimensional materials. This study provides a comprehensive study… read more here.
Keywords: ternary alloys; hfs2 se2; zrs2; se2 ... See more keywords
Antifriction and Antiwear Effect of Lamellar ZrS2 Nanobelts as Lubricant Additives
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DOI: 10.3390/nano9030329
Abstract: In this study, the tribological behavior of lamellar ZrS2 nanobelts as lubricant additives was investigated under different concentrations, normal load, velocity, and temperature. The friction and wear tests were performed using a tribometer and with… read more here.
Keywords: lamellar zrs2; friction; zrs2 nanobelts; zrs2 ... See more keywords