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Showing 1 to 1 of 1 for “"Computational Chemistry, Halloysite, DFT, DFTB, Self-Healing Materials, Nanomaterial Design"”.
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COMPUTATIONAL STUDY OF THE INTERACTION BETWEEN MOLECULES OF TECHNOLOGICAL INTEREST AND MODIFIED NANOTUBULAR CLAYS
Halloysite nanotube (HNT) is an aluminosilicate arranged in a spiral shape, made up of a silicon oxide on the outer and an aluminium hydroxide on the inner surface. These two layers are bonded through oxygen atoms. The different chemical environment of the two surfaces as well as their fine tuning …