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Structure and mobility of water confined in AlPO(4)-54 nanotubes

We performed molecular dynamics simulations of water confined within AlPO(4)-54 nanotubes. AlPO(4)-54 is an artificial material made of AlO(4) and of PO(4) in tetrahedra arranged in a periodic structure forming pores of approximately 1.3 nm in diameter. This makes AlPO(4)-54 an excellent candidate f...

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Bibliografski detalji
Izdano u:J Chem Phys
Glavni autori: Gavazzoni, Cristina, Giovambattista, Nicolas, Netz, Paulo A., Barbosa, Marcia C.
Format: Artigo
Jezik:Inglês
Izdano: AIP Publishing LLC 2017
Teme:
Online pristup:https://ncbi.nlm.nih.gov/pmc/articles/PMC5478424/
https://ncbi.nlm.nih.gov/pubmed/28641422
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4985626
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