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1 article(s) from Voyiatzis, Evangelos

Atomistic insights into the morphological dynamics of gold and platinum nanoparticles: MD simulations in vacuum and aqueous media

Evangelos Voyiatzis,
Eugenia Valsami-Jones and
Antreas Afantitis

Beilstein J. Nanotechnol. 2024, 15, 995–1009, doi:10.3762/bjnano.15.81

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Figure 1: Schematic of the computational procedure utilized to generate nanoparticle configurations at variou...

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Figure 2: Radial number density in Au (panels a and b) and Pt (panels c and d) NPs as a function of the dista...

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Figure 3: Temperature dependence of the Berry parameter of Au (panel a) and Pt (panel b) NPs. The NP diameter...

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Figure 4: Temperature variation of the percentage of amorphous atoms (panels a and b) and FCC atoms (panels c...

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Figure 5: Temperature dependence of the average atomic coordination number for Au (panel a) and Pt (panel b) ...

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Figure 6: Temperature dependence of the average potential energy per atom for Au (panel a) and Pt (panel b) N...

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Figure 7: Temperature dependence of the magnitude of atomic force for Au (panel a) and Pt (panel b) NPs. The ...

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Figure 8: Variation of the surface area-to-volume ratio with the NP diameter for Au (blue points) and Pt (ora...

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Figure 9: Temperature dependence of the asphericity (panel a), acylindricity (panel b), and shape anisotropy ...

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Figure 10: Simulated X-ray powder diffraction patterns of Au (panels a and b) and Pt (panels c and d) NPs. The...

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Figure 11: Variation of the average surface energy (panel a) and water–NP energy (panel b) with the NP diamete...

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Published 07 Aug 2024

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