• 文献标题:   Silicomolybdic acid intercalated graphene oxide-based solid acid: catalytic activity and investigation of structural stability by DFT analysis
  • 文献类型:   Article
  • 作  者:   ACHARY LSK, PARIDA R, KUMAR A, GIRI S, DASH P
  • 作者关键词:  
  • 出版物名称:   MATERIALS CHEMISTRY PHYSICS
  • ISSN:   0254-0584 EI 1879-3312
  • 通讯作者地址:  
  • 被引频次:   0
  • DOI:   10.1016/j.matchemphys.2022.126096 EA APR 2022
  • 出版年:   2022

▎ 摘  要

Silicomolybdic acid supported graphene oxide (GO-SMA) was synthesized via a simple impregnation method and demonstrated as an active catalyst for the efficient synthesis of biologically important molecule (isoxazoles) under green and efficient microwave condition. The structural and morphological variation of the catalyst was investigated by a number of sophisticated characterization techniques. For the detection of acidic sites on GO-SMA surface, NH3-TPD and pyridine IR spectroscopic studies were carried out and revealed the presence of a significant amount of acidic sites (0.62 mmol g(-1)) which are essential for heterogeneous acid catalysis. A Density Functional Theory (DFT) method had revealed that our catalyst is thermodynamically stable as the binding energy was found to be (-56.28 kcal/ mol). Also, it was found that reactant molecules were efficiently adsorbed on the catalyst surface which enhanced the catalytic activity. Besides high catalytic activity and a wide variety of substrate scope this catalyst showed good recyclability up to five successive cycles with minimum loss of activity.