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

Calcite (CaCO<sub>3</sub>), 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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Autori principali: Zhangci Wu, Xiao Zhi, Fujie Jia, Jiayuan Ye, Neng Li
Natura: Artigo
Lingua:Inglês
Pubblicazione: MDPI AG 2025-06-01
Serie:Crystals
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Accesso online:https://www.mdpi.com/2073-4352/15/6/566
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