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Self-interstitials structure in the hcp metals: A further perspective from first-principles calculations
(Elsevier Science, 2016-12)
We study the structure of several standard and non-standard self-interstitial configurations in a series of hcp metals, by using Density Functional Theory as embodied in the computer codes SIESTA and WIEN2k. The considered ...
Experimental and theoretical approach of nanocrystalline TiO2 with antifungal activity
(2013-07-09)
Using a solvothermal method for this research we synthesized nanocrystalline titanium dioxide (nc-TiO2) anatase particles with a mean diameter of 5.4 nm and evaluated their potential antifungal effect against planktonic ...
Experimental and theoretical approach of nanocrystalline TiO2 with antifungal activity
(2013-07-09)
Using a solvothermal method for this research we synthesized nanocrystalline titanium dioxide (nc-TiO2) anatase particles with a mean diameter of 5.4 nm and evaluated their potential antifungal effect against planktonic ...
Phonon Dominated Thermal Transport in Metallic Niobium Diselenide from First Principles Calculations
(MDPI, 2023)
Niobium diselenide (NbSe2) is a layered transition metal dichalcogenide material which possesses unique electrical and superconducting properties for future nanodevices. While the superconducting, electrical, and bulk ...
Structure, electronic structure, optical and magnetic studies of double perovskite Gd2MnFeO6 nanoparticles: First principle and experimental studies
(Elsevier, 2020)
Multifunctional materials are greatly appealed in electrical, electronic and magnetic devices which are developed by several researchers for future device fabrications. Among such materials, the double perovskites with ...