Jump to main content
Jump to site search

Issue 33, 2016
Previous Article Next Article

Single-layered platinum nanocage: a highly selective and efficient catalyst for fuel cells

Author affiliations

Abstract

Developing a highly efficient catalyst for the oxygen reduction reaction (ORR) is key to the performance of fuel cells for future energy applications. ORR pathways are systematically studied on the (111) facet of an octahedral single-layered platinum nanocage (Pt66), enclosed by well-defined (111) facets. Energetic (cohesive energy), thermal (molecular dynamics simulation) and dynamic (phonon frequency) calculations are carried out to evaluate the stability of the nanocage. Thermodynamic (reaction free energies) and kinetic (free energy barriers, and temperature dependent reaction rates) parameters are investigated to find out the most favourable pathway for the ORR. The catalytic activity of the nanocage is investigated in greater detail toward its product selectivity (H2O vs. H2O2). Previous theoretical and experimental reports on bulk Pt(111) show that direct O–O bond dissociation and OH formation are very much unlikely due to the high-energy barrier. However, we find that the direct O–O bond dissociation and OH formation are thermodynamically and kinetically favourable when catalysed by an octahedral Pt-nanocage. Our microkinetic analysis shows that the nanocage is a highly selective catalyst for the four-electron reduction (*H2O formation) over two-electron reduction (*H2O2 formation). The excellent catalytic activity of the nanocage is explained from the surface energy, compressive strain, Bader charge and density of states analysis.

Graphical abstract: Single-layered platinum nanocage: a highly selective and efficient catalyst for fuel cells

Back to tab navigation

Supplementary files

Publication details

The article was received on 19 Apr 2016, accepted on 09 Jun 2016 and first published on 09 Jun 2016


Article type: Paper
DOI: 10.1039/C6TA03245A
Citation: J. Mater. Chem. A, 2016,4, 12756-12767
  •   Request permissions

    Single-layered platinum nanocage: a highly selective and efficient catalyst for fuel cells

    A. Mahata, K. S. Rawat, I. Choudhuri and B. Pathak, J. Mater. Chem. A, 2016, 4, 12756
    DOI: 10.1039/C6TA03245A

Search articles by author

Spotlight

Advertisements