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论文类型：期刊论文

发表时间：2019-03-01

发表刊物：IONICS

收录刊物：SCIE、EI

卷号：25

期号：3

页面范围：1407-1412

ISSN号：0947-7047

关键字：Gold catalyst; Electrodeposition; Ionic liquid; Quantum chemical calculation; Molecular dynamic simulation

摘要：Theoretical calculations and experimental studies were employed to study the electrodeposition process of gold catalyst preparation in ionic liquid 1-butyl-3-methylimidazolium trifluoromethansulfonate ([BMIm][TfO]) electrolyte. The frontier molecular orbital information of [BMIm][TfO] was studied by quantum chemical calculation. Molecular dynamic simulations were employed to investigate the interfacial interactions between [BMIm][TfO] and metal surfaces. Gold catalysts obtained from [BMIm][TfO] electrolyte were characterized by scanning electron microscopy (SEM), X-ray diffraction (XRD), and X-ray photoelectron spectroscopy (XPS) measurements to confirm the prediction of theoretical calculations and determine the influence of [BMIm][TfO] ionic liquid on gold electrodeposition. With effective adsorption on metal surfaces, [BMIm][TfO] is an appropriate choice as an electrolyte for preparation of a gold catalyst by electrodeposition in non-aqueous medium.