, Volume 25, Issue 3, pp 1407–1412 | Cite as

Preparation of gold catalyst by electrodeposition in [BMIm][TfO] ionic liquid electrolyte: an insightful study of theoretical calculations and experiments

  • Xuefeng RenEmail author
  • Qianyuan Lv
  • Bihe Liu
  • Lifen Liu
  • Maozhong AnEmail author
  • Anmin Liu
Short Communication


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.


Gold catalyst Electrodeposition Ionic liquid Quantum chemical calculation Molecular dynamic simulation 


Funding information

The authors acknowledge the support of the Fundamental Research Funds for the Central Universities (DUT18LK21 and DUT18LK15), the Natural Science Foundation of Liaoning Province (20180510020), and the Supercomputing Center of Dalian University of Technology.

Supplementary material

11581_2018_2806_MOESM1_ESM.doc (908 kb)
ESM 1 (DOC 908 kb)


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Copyright information

© Springer-Verlag GmbH Germany, part of Springer Nature 2018

Authors and Affiliations

  1. 1.School of Food and EnvironmentDalian University of TechnologyPanjinChina
  2. 2.State Key Laboratory of Urban Water Resource and Environment, School of Chemistry and Chemical EngineeringHarbin Institute of TechnologyHarbinChina
  3. 3.State Key Laboratory of Fine Chemicals, School of Petroleum and Chemical EngineeringDalian University of TechnologyPanjinChina

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