Scholarlink

Abstract <p>A hybrid alloy of [Li-ion/boron(B), aluminum(Al), gallium (Ga)] battery is figured out by a simulated anode of germanium-silicon oxide (GeOSiO) and tin-silicon oxide (SnOSiO) nanoclusters. (GeOSiO) and (SnOSiO) nanoclusters have been designed and charchterized as the electrodes for hybrid Li-ion batteries (LIBs) due to forming [LiB(GeOSiO)], [LiAl(GeOSiO)], [LiGa(GeOSiO)], [LiB(SnOSiO)], [LiAl(SnOSiO)], and [LiGa(SnOSiO)] nanoclusters. In this work, the metallliod/metal of third group elements have been studied in hybrid LiB-, LiAl-, LiGa-ion batteries through using computational approaches due to density state analysis of charge density differences (CDD), total density of state (TDOS), electron localization function (ELF). Higher Ge/Sn to Si content can increase battery capacity for energy storage compared to net Li-ion batteries and might improve the rate performances by enhancing electrical conductivity. Besides, (GeOSiO) and (SnOSiO) anode materials may advance cycling consistency by excluding electrode decline and augments the capacity owing to higher surface capacitive impacts.</p>

错误：搜索内容不能为空，请输入英文关键词
错误：关键词超出字数限制，请精简
高级检索

Unlocking Physical Properties of Charge Density and Electron Localization Function of Metal/Metalloid Substitution in Hybrid Semiconductors of Silicon–Germanium Oxide: A DFT Simulation

  • 期刊论文

  • 发表日期：

    2025年12月1日

查看全文
  • F. Mollaamin,
  • M. Monajjemi

摘要

Abstract

A hybrid alloy of [Li-ion/boron(B), aluminum(Al), gallium (Ga)] battery is figured out by a simulated anode of germanium-silicon oxide (GeOSiO) and tin-silicon oxide (SnOSiO) nanoclusters. (GeOSiO) and (SnOSiO) nanoclusters have been designed and charchterized as the electrodes for hybrid Li-ion batteries (LIBs) due to forming [LiB(GeOSiO)], [LiAl(GeOSiO)], [LiGa(GeOSiO)], [LiB(SnOSiO)], [LiAl(SnOSiO)], and [LiGa(SnOSiO)] nanoclusters. In this work, the metallliod/metal of third group elements have been studied in hybrid LiB-, LiAl-, LiGa-ion batteries through using computational approaches due to density state analysis of charge density differences (CDD), total density of state (TDOS), electron localization function (ELF). Higher Ge/Sn to Si content can increase battery capacity for energy storage compared to net Li-ion batteries and might improve the rate performances by enhancing electrical conductivity. Besides, (GeOSiO) and (SnOSiO) anode materials may advance cycling consistency by excluding electrode decline and augments the capacity owing to higher surface capacitive impacts.