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Tuning the electronic and electrochemical properties of 2D SiC by defect insertion for next-generation metal-ion battery anodes: first principles prediction

Abstract We employ density functional theory (DFT) to investigate how Stone–Wales (SW) defects modulate the electronic and electrochemical properties of two-dimensional silicon carbide (SiC) monolayer for sodium (Na)-, potassium (K)-, and magnesium (Mg)-ion batteries. The SW-SiC structure is energet...

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Principais autores: Nura Ibrahim, Lawal Mohammed, Sadiq Umar, Hazem Abdelsalam
Format: Artigo
Sprog:Inglês
Udgivet: Nature Portfolio 2026-03-01
Serier:Scientific Reports
Fag:
SiC
Stone–wales
Defects
Graphene
DFT
Anode
Online adgang:https://doi.org/10.1038/s41598-026-42130-w
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