Positional-Fe-doping-induced spin polarization effects on magnetoelectric properties and spin texture of 2D-SiC

Chen, Li; Yan, Zhengxin; Li, Weili; Zhai, Xiaowei; Liu, Wei; Wang, Yixian; Zhou, G. J.

doi:10.1016/j.physe.2020.114181

Cited by 3 publications

(1 citation statement)

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“…All calculations were carried out based on Vienna Ab initio Simulation Package (VASP) software. − The generalized gradient approximation (GGA) of Perdew–Burke–Ernzerhof (PBE) exchange correlation functions was used to describe electron exchange and correlation interactions . The cutoff energy was set to be 400 eV and the Brillouin zone was divided by 2 × 2 × 1 sample points for geometric optimization of the catalyst surface.…”

Section: Methodsmentioning

confidence: 99%

Engineering Selenium Vacancies on CoSe₂ Nanoarrays for Alkaline Hydrogen Evolution

Pan

Cao

et al. 2023

ACS Appl. Nano Mater.

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The development of highly efficient nonnoble metals toward hydrogen evolution reaction (HER) electrocatalysts is significant for producing hydrogen via water electrolysis. Selenides are becoming increasingly attractive owing to their excellent HER activity. Herein, CoSe2 nanorods were successfully manufactured on a carbon cloth (CC) and selenium vacancies were obtained using a plasma cleaner (CoSe2-VSe/CC) to enhance their intrinsic catalytic activity. The synthetic catalyst exhibited a lower overpotential of 88 mV at 10 mA cm–2 in 1 M KOH and high durability over 100 h at 100 mA cm–2, which can be ascribed to the increased electrochemical surface area and rapid electron transfer. In addition, density functional theory (DFT) calculations showed that introducing Se vacancies optimized the hydrogen adsorption energy on the Se site and reduced the transition-state energy barrier of water dissociation. This study laid a firm foundation for preparing high-performance and stable electrocatalysts via anion defect engineering.

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Section: Methodsmentioning

confidence: 99%

Engineering Selenium Vacancies on CoSe₂ Nanoarrays for Alkaline Hydrogen Evolution

Pan

Cao

et al. 2023

ACS Appl. Nano Mater.

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FeTiO3/TiO2 heterojunction for the electrocatalytic and photo-assisted electrocatalytic reduction of nitric oxide into ammonia

Shen,

Chen,

et al. 2024

Ceramics International

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Investigation of the physical properties through strain effect of monolayer silicon carbide material: DFT analysis

Haque,

Islam,

Choudhury

2025

Physica B: Condensed Matter

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Positional-Fe-doping-induced spin polarization effects on magnetoelectric properties and spin texture of 2D-SiC

Cited by 3 publications

References 44 publications

Engineering Selenium Vacancies on CoSe₂ Nanoarrays for Alkaline Hydrogen Evolution

Engineering Selenium Vacancies on CoSe₂ Nanoarrays for Alkaline Hydrogen Evolution

FeTiO3/TiO2 heterojunction for the electrocatalytic and photo-assisted electrocatalytic reduction of nitric oxide into ammonia

Investigation of the physical properties through strain effect of monolayer silicon carbide material: DFT analysis

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Positional-Fe-doping-induced spin polarization effects on magnetoelectric properties and spin texture of 2D-SiC

Cited by 3 publications

References 44 publications

Engineering Selenium Vacancies on CoSe2 Nanoarrays for Alkaline Hydrogen Evolution

Engineering Selenium Vacancies on CoSe2 Nanoarrays for Alkaline Hydrogen Evolution

FeTiO3/TiO2 heterojunction for the electrocatalytic and photo-assisted electrocatalytic reduction of nitric oxide into ammonia

Investigation of the physical properties through strain effect of monolayer silicon carbide material: DFT analysis

Contact Info

Product

Resources

About

Engineering Selenium Vacancies on CoSe₂ Nanoarrays for Alkaline Hydrogen Evolution

Engineering Selenium Vacancies on CoSe₂ Nanoarrays for Alkaline Hydrogen Evolution