Oxygen-substituted borophene as a potential anode material for Li/Na-ion batteries: a first principles study

Yao Wu; Bicheng Zhang; Jianhua Hou

doi:10.1039/d0cp06530g

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Oxygen-substituted borophene as a potential anode material for Li/Na-ion batteries: a first principles study

Yao Wu Bicheng Zhang Jianhua Hou

Year: 2021 Journal: Physical Chemistry Chemical Physics Vol: 23 (15)Pages: 9270-9279 Publisher: Royal Society of Chemistry

DOI: 10.1039/d0cp06530g

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Abstract

After the first layer of Li atoms are adsorbed fully, the system of Li atoms adsorbed by h-B₃O still remained stable. And a large theoretical specific capacity (1161 mA h g⁻¹) ensures a good storage capacity of Li-ion batteries.

Keywords:

Borophene Anode Adsorption Ion Lithium (medication) Oxygen Materials science Layer (electronics) Chemistry Inorganic chemistry Atomic physics Nanotechnology Physical chemistry Physics Electrode Monolayer Organic chemistry

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Advancements in Battery Materials

Physical Sciences → Engineering → Electrical and Electronic Engineering

Boron and Carbon Nanomaterials Research

Physical Sciences → Materials Science → Materials Chemistry

MXene and MAX Phase Materials

Physical Sciences → Materials Science → Materials Chemistry

Oxygen-substituted borophene as a potential anode material for Li/Na-ion batteries: a first principles study

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