PulseExploreJournal ClubDebatesTrendingResearchersJournals
Instagram
HomeExploreJournal ClubTrending
Synapse
⌘+K
Synapse
March 3, 2026Russian Journal of Physical Chemistry B0 citations

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

View Full Paper
FMF. MollaaminMMMajid Monajjemi

Key Points

  • Increased Ge/Sn to Si content results in higher battery capacity for energy storage, leading to improved performance.
  • The primary metric indicates that hybrid Li-ion batteries can achieve greater charging efficiency and consistent cycling.
  • Computational approaches utilizing density state analysis and electron localization function reveal significant material properties.
  • Advancements in hybrid materials may enhance cycling consistency by reducing electrode decline and boosting capacity.

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.

Ask AI
Helpful
Bookmark
Share
View Full Paper

Cite This Study

Mollaamin et al. (2025) studied this question.

synapsesocial.com/papers/69a75e35c6e9836116a289dehttps://doi.org/10.1134/s1990793125701313
Ask AI
Helpful
Bookmark
Share
View Full Paper