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
Structural Phase Transitions and Metallization in Zirconium Disulfide (ZrS2) under High Pressure.
Sign Up to like & getrecommendations! Published in 2024 at "Inorganic chemistry"
DOI: 10.1021/acs.inorgchem.4c03305
Abstract: The high-pressure study on zirconium disulfide (ZrS2) has been conducted up to ∼33.9 GPa by using in-situ synchrotron X-ray diffraction at room temperature and electrical transport measurements, aiming to investigate the pressure-induced structural phase transitions… read more here.
Keywords: pressure; metallization; structural phase; zrs2 ... 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
SCAPS 1D based study of hole and electron transfer layers to improve MoS2–ZrS2 solar cell efficiency
Sign Up to like & getrecommendations! Published in 2024 at "Modelling and Simulation in Materials Science and Engineering"
DOI: 10.1088/1361-651x/ad5a2b
Abstract: In the realm of photovoltaic applications, scientists and technocrats are striving to maximize the solar cell input photon energy conversion to electricity. However, achieving optimal cell efficiency requires significant time and energy investment for each… read more here.
Keywords: cell efficiency; cell; solar cell; zrs2 ... See more keywords
Benchmarking the high conductive two-dimensional layered structured NbS2, ZrS2, ReS2 and NbSe2 materials with zero energy bandgap (E g) for photocatalytic application: a DFT study
Sign Up to like & getrecommendations! Published in 2025 at "Royal Society Open Science"
DOI: 10.1098/rsos.241560
Abstract: Two-dimensional materials are among the most scientifically accessible materials in material science at the beginning of the twenty-first century. There has been interest in the monolayer transition metal dichalcogenide (TMDC) family because of its large… read more here.
Keywords: res2 nbse2; nbs2 zrs2; two dimensional; zrs2 res2 ... See more keywords
Antifriction and Antiwear Effect of Lamellar ZrS2 Nanobelts as Lubricant Additives
Sign Up to like & getrecommendations! Published in 2019 at "Nanomaterials"
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