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Termination Effects in Aluminosilicate and Aluminogermanate Imogolite Nanotubes: A Density Functional Theory Study

We investigate termination effects in aluminosilicate (AlSi) and aluminogermanate (AlGe) imogolite nanotubes (NTs) by means of semi-local and range-corrected hybrid Density Functional Theory (DFT) simulations. Following screening and identification of the smallest finite model capable of accommodati...

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Bibliografische gegevens
Hoofdauteurs: Emiliano Poli, Joshua D. Elliott, Ziwei Chai, Gilberto Teobaldi
Formaat: Artigo
Taal:Inglês
Gepubliceerd in: MDPI AG 2020-11-01
Reeks:Crystals
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Online toegang:https://www.mdpi.com/2073-4352/10/11/1051
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