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Beilstein J. Nanotechnol. 2024, 15, 1536–1553, doi:10.3762/bjnano.15.121
Figure 1: Schematic representation of a negatively charged uncoated spherical NM. The ZP corresponds to the e...
Figure 2: Schematic workflow for the development of the stacked PLS and MLP q-RASPR models.
Figure 3: Schematic representation of the individual and consensus models for the RR exercise. The five model...
Beilstein J. Nanotechnol. 2024, 15, 995–1009, doi:10.3762/bjnano.15.81
Figure 1: Schematic of the computational procedure utilized to generate nanoparticle configurations at variou...
Figure 2: Radial number density in Au (panels a and b) and Pt (panels c and d) NPs as a function of the dista...
Figure 3: Temperature dependence of the Berry parameter of Au (panel a) and Pt (panel b) NPs. The NP diameter...
Figure 4: Temperature variation of the percentage of amorphous atoms (panels a and b) and FCC atoms (panels c...
Figure 5: Temperature dependence of the average atomic coordination number for Au (panel a) and Pt (panel b) ...
Figure 6: Temperature dependence of the average potential energy per atom for Au (panel a) and Pt (panel b) N...
Figure 7: Temperature dependence of the magnitude of atomic force for Au (panel a) and Pt (panel b) NPs. The ...
Figure 8: Variation of the surface area-to-volume ratio with the NP diameter for Au (blue points) and Pt (ora...
Figure 9: Temperature dependence of the asphericity (panel a), acylindricity (panel b), and shape anisotropy ...
Figure 10: Simulated X-ray powder diffraction patterns of Au (panels a and b) and Pt (panels c and d) NPs. The...
Figure 11: Variation of the average surface energy (panel a) and water–NP energy (panel b) with the NP diamete...