We report on the calculations of the cohesive energy, melting temperature and vacancy formation energy for Au nanocrystals with different size supported on and embedded in SiO 2 . The calculations are performed crossing our previous data on the surface free energy of the sup-ported and embedded nanocrystals with the theoretical surface-area-difference model developed by W. H. Qi for the description of the size-dependent thermodynamics properties of low-dimensional solid-state systems. Such calculations are employed as a function of the nanocrystals size and surface energy. For nanocrystals supported on SiO 2 , as results of the calculations, we obtain, for a fixed nanocrystal size, an almost constant cohesive energy, melting temperature and vacancy formation energy as a function of their surface energy; instead, for those embedded in SiO 2 , they decreases when the nanocrystal surface free energy increases. Furthermore, the cohesive energy, melting temperature and vacancy formation energy increase when the nanocrystal size increases: for the nanocrystals on SiO 2 , they tend to the values of the bulk Au; for the nanocrystals in SiO 2 in correspondence to sufficiently small values of their surface energy, they are greater than the bulk values. In the case of the melting temperature, this phenomenon corresponds to the experi-mentally well-known superheating process.
Disruption of Asymmetric Lipid Bilayer Models Mimicking the Outer Membrane of Gram-Negative Bacteria by an Active Plasticin / Michel, Jean-Philippe; Wang, Y. X.; Kiesel, Irena; Gerelli, Yuri; Rosilio, Véronique. - In: LANGMUIR. - ISSN 0743-7463. - ELETTRONICO. - 33:41(2017), pp. 11028-11039. [10.1021/acs.langmuir.7b02864]