Adsorption of Na atom on mono-layer gallenene

ADVANCES IN BASIC SCIENCE (ICABS 2019) Pub Date : 2019-08-29 DOI:10.1063/1.5122481

Mohammad Ubaid, A. Aziz, B. Pujari

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引用次数: 1

Abstract

Gallenene (Ga100), a Ga-based 2D material, is a new member of nanomaterial family. Based on the density functional theory (DFT), we studied the adsorption energy, geometry, charge analysis and electronic structure of Na adatom on mono-layer Ga100. Na is an s valence alkali metal. We find the Na atom invoke an affluent diversity of structural, energetic and electronic properties. Our work demonstrates that Ga100 forms the strong bonds with Na atom. The adsorption energy of Na atom on Ga100 is more than on graphene. These results indicate that Na adsorbed Ga100 can be a promising material in the 2D family.Gallenene (Ga100), a Ga-based 2D material, is a new member of nanomaterial family. Based on the density functional theory (DFT), we studied the adsorption energy, geometry, charge analysis and electronic structure of Na adatom on mono-layer Ga100. Na is an s valence alkali metal. We find the Na atom invoke an affluent diversity of structural, energetic and electronic properties. Our work demonstrates that Ga100 forms the strong bonds with Na atom. The adsorption energy of Na atom on Ga100 is more than on graphene. These results indicate that Na adsorbed Ga100 can be a promising material in the 2D family.

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钠原子在单层加仑烯上的吸附

镓烯(Ga100)是一种基于ga的二维材料，是纳米材料家族的新成员。基于密度泛函理论(DFT)，研究了Na吸附原子在单层Ga100上的吸附能、几何形状、电荷分析和电子结构。Na是一种s价的碱金属。我们发现Na原子具有丰富的结构、能量和电子特性。我们的研究表明，Ga100与Na原子形成了强键。Na原子在Ga100上的吸附能大于石墨烯。这些结果表明，Na吸附的Ga100是一种很有前途的二维材料。镓烯(Ga100)是一种基于ga的二维材料，是纳米材料家族的新成员。基于密度泛函理论(DFT)，研究了Na吸附原子在单层Ga100上的吸附能、几何形状、电荷分析和电子结构。Na是一种s价的碱金属。我们发现Na原子具有丰富的结构、能量和电子特性。我们的研究表明，Ga100与Na原子形成了强键。Na原子在Ga100上的吸附能大于石墨烯。这些结果表明，Na吸附的Ga100是一种很有前途的二维材料。

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ADVANCES IN BASIC SCIENCE (ICABS 2019)

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