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<p>The interfacial crystal structures and electrical properties of the collector fluids Al and Al<sub>2</sub>S<sub>3</sub> were studied. For the semi-coherent interface whose lattice matching degree is only 7.99%, the binding energy of the interface is −&#xa0;1.287&#xa0;J /m<sup>2</sup> when the interface distance is 2.448&#xa0;Å. It was found that the accumulation of electrons from Al to Al<sub>2</sub>S<sub>3</sub> promoted the formation of a stable interface that exhibited metallic conductivity. After the interface is formed, electrons need to overcome the energy barrier of 1.71&#xa0;eV to enter Al<sub>2</sub>S<sub>3</sub>, which increases the difficulty of fluid collection.</p> Graphical Abstract <p>The formation of the Al/Al2S3 interface leads to the decline in the conductivity of the current collector and the stability of the Al current collector</p> <p></p>

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First-principles study on lattice structures and electronic properties of Al/Al2S3 interface

  • 期刊论文

  • 发表日期：

    2025年6月23日

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  • Qing-shan Zhao,
  • Wen-xiang Li,
  • Hong-tao Xue,
  • Fu-ling Tang

摘要

The interfacial crystal structures and electrical properties of the collector fluids Al and Al2S3 were studied. For the semi-coherent interface whose lattice matching degree is only 7.99%, the binding energy of the interface is − 1.287 J /m2 when the interface distance is 2.448 Å. It was found that the accumulation of electrons from Al to Al2S3 promoted the formation of a stable interface that exhibited metallic conductivity. After the interface is formed, electrons need to overcome the energy barrier of 1.71 eV to enter Al2S3, which increases the difficulty of fluid collection.

Graphical Abstract

The formation of the Al/Al2S3 interface leads to the decline in the conductivity of the current collector and the stability of the Al current collector