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• W2949774752 abstract "The initial nucleation of platinum clusters after the reduction of K(2)PtCl(4) in aqueous solution is studied by means of first principles molecular dynamics simulations. A reaction mechanism leading to a Pt dimer is revealed both by gas-phase simulations and by simulations which model the solution environment. The key step of the observed reaction process is the formation of a Pt-Pt bond between a Pt(I) complex and an unreduced Pt(II) complex. In light of this result, we discuss the reduction process leading to the formation of platinum nanoparticles. In the generally accepted model, the nucleation of Pt particles starts only when a critical concentration of Pt(0) atoms is reached. Here, we discuss a complementary mechanism where metal-metal bonds form between Pt complexes in higher oxidation states. This is consistent with a number of experimental results which show that a high concentration of zerovalent atoms is not necessary to start the nucleation." @default.
• W2949774752 created "2019-06-27" @default.
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• W2949774752 date "2001-07-03" @default.
• W2949774752 modified "2023-10-18" @default.
• W2949774752 title "Initial Nucleation of Platinum Clusters after Reduction of K₂PtCl₄ in Aqueous Solution: A First Principles Study" @default.
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• W2949774752 doi "https://doi.org/10.1021/ja002977+" @default.
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