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...
Main Authors: | Emiliano Poli, Joshua D. Elliott, Ziwei Chai, Gilberto Teobaldi |
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Format: | Article |
Language: | English |
Published: |
MDPI AG
2020-11-01
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Series: | Crystals |
Subjects: | |
Online Access: | https://www.mdpi.com/2073-4352/10/11/1051 |
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