Abstract

We review the physical mechanisms of heterogeneous catalytic oxidizing reactions methanol oxidation using bimetallic film layered mechanically strained PtNi and PtCu-based catalysts. The main research methods are theoretical calculations based on the density functional theory and the ˝ab initio˝ pseudopotential method. The work illustrates that the mechanical stress and the presence of dissociated oxygen have the greatest impact on increasing electron bimetallic catalyst activity during the oxidation of methanol with using bimetallic layered mechanically strained PtNi and PtCu-based catalysts. The compression of the platinum film pushes the electron density outside the film and it gives the density an elongated form and increases the chemical and absorption activity of the film.

Highlights

  • Nanoparticles and nanostructured materials are actively studied in many fields of science

  • Sham [21], the electron density was recorded in terms of occupied orthonormal single-particle wave functions: n(r

  • Calculations, we found that when platinum is deposited on a Ni or Cu substrate, the distance between Pt - Pt atoms is reduced, which in turn increases the catalytic activity of platinum

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Summary

Introduction

Nanoparticles and nanostructured materials are actively studied in many fields of science. Its main disadvantages are degradation during long-term operation in PE, as well as high cost The solution to these problems is associated with the development of multicomponent catalytic systems based on platinum with the inclusion of other metals [8, 9, 10]. This requires the use of highly efficient catalysts, which could combine high reaction activity and extended service life of these devices. Their development strategies depend on a detailed understanding of the mechanisms of fuel oxidation and oxygen reduction [11]

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