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机译:Computational study on the structural and surface properties of amorphous hydroxylated TiO2 spherical nanoparticles
Berg Univ Wuppertal, Dept Math & Nat Sci, CSiS, D-42119 Wuppertal, Germany;
Amorphous hydroxylated TiO2 nanoparticles; Bulk TiO2; Modelling and simulations; Structural and surface properties; Monte Carlo simulations; Interatomic potentials and force fields; Madelung constants; Size effects;