Abstract
Abstract The redox reaction pathway of silver nanocluster formation in the polyol method is investigated by density functional theory calculation. It is suggested that the formation of Ag2(0) cluster with silver acetate dimer and glycol is more likely to occur via the Ag–carbon bond intermediate rather than via concerted double proton transfer or Ag-alkoxide intermediate. The aldehyde produced from glycol acts as a stronger reducing agent in the reaction. This mechanism provides important insights for controlling the reaction of the polyol process.
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