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Information × Registration Number 0211U000061, 0110U005667 , R & D reports Title Physical and chemical principles of forming of stable platinum binary nanoparticles and prediction of their corrosive stability in the environments of low temperature fuel cell popup.stage_title Head Pokhmurski Vasyl Ivanovych, Registration Date 13-01-2011 Organization Karpenko Physico-Mechanical Institute of the National Academy of Science of Ukraine popup.description2 A complex methodology has been proposed for the theoretical estimation and prediction of structural stability and corrosion resistance of platinum based binary nanoclusters in the working environment of low temperature fuel cells by means of modern quantum chemical, molecular mechanics and molecular dynamics methods. New approach was developed to study physico-chemical behaviors of poisoning (passivation) processes for the binary nanoclusters with different sizes and structures PtnXm (X - transition metals Cr, Fe, Co, Ni), as well as their surface corrosion (dissolution). Our approach consists of structural simulation and stability studies for such binary nanoclusters of platinum in the frames of molecular mechanics and dynamics, including calculations of interaction potentials and energies in the nanosystems of binary nanoclusters-environment by quantum chemical methods of molecular orbitals and density functional theory. Product Description popup.authors Копилець Володимир Іванович Корній Сергій Андрійович popup.nrat_date 2020-04-02 Close