Mechanical and Electronic Properties of Fe(II) Doped Calcite: Ab Initio Calculations

Calcite (CaCO₃), a widely used mineral in materials science and environmental engineering, exhibits excellent stability but has limited mechanical strength and a wide electronic band gap, restricting its broader functional applications. To address these limitations, we systematically inve...

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Hlavní autoři:	Zhangci Wu, Xiao Zhi, Fujie Jia, Jiayuan Ye, Neng Li
Médium:	Artigo
Jazyk:	Inglês
Vydáno:	MDPI AG 2025-06-01
Edice:	Crystals
Témata:	calcite Fe-doped electronic structure mechanical properties ab initio calculation
On-line přístup:	https://www.mdpi.com/2073-4352/15/6/566
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