Computational study of fluorinated defective h-BN sheet controlling corrosion in the marine environment

Ma, Liqiu; Peng, Jinyong; Song, Ziwen; Lu, Zhibin; Zhou, Shengguo

doi:10.1016/j.ceramint.2024.04.068

Ceramics International

2024

DOI: 10.1016/j.ceramint.2024.04.068

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Computational study of fluorinated defective h-BN sheet controlling corrosion in the marine environment

Liqiu Ma,

Jinyong Peng,

Ziwen Song

et al.

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Cited by 2 publications

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The effect of adding h-BN on the wear and corrosion resistance of laser-cladded Ni60A/TiC coatings

Ren,

Li,

Wen

et al. 2024

Ceramics International

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The effect of adding h-BN on the wear and corrosion resistance of laser-cladded Ni60A/TiC coatings

Ren,

Li,

Wen

et al. 2024

Ceramics International

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Diatomic Active Sites Embedded Graphyne as Electrocatalysts for Ammonia Synthesis

Chen,

Zhao,

Song

et al. 2024

ACS Appl. Mater. Interfaces

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Ammonia (NH 3 ) is a vital chemical compound in industry and agriculture, and the electrochemical nitrogen reduction reaction (eNRR) is considered a promising approach for NH 3 synthesis. However, the development of eNRR faces the challenge of high overpotential and low Faradaic efficiency. In this work, graphyne (GY) is anchored by 3d, 4d, and 5d dual transition metal atoms to form diatomic catalysts (DACs) and is roundly investigated as an electrocatalyst for eNRR via density functional theory calculations. Due to the protrusion of anchored metal atoms, the active sites of GY are better exposed compared to other substrates, exhibiting higher activity. Through four-step hierarchical high-throughput screening (ΔG

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Computational study of fluorinated defective h-BN sheet controlling corrosion in the marine environment

Cited by 2 publications

References 39 publications

The effect of adding h-BN on the wear and corrosion resistance of laser-cladded Ni60A/TiC coatings

The effect of adding h-BN on the wear and corrosion resistance of laser-cladded Ni60A/TiC coatings

Diatomic Active Sites Embedded Graphyne as Electrocatalysts for Ammonia Synthesis

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