Size-selective electrocatalytic activity of (Pt)n/MoS2 for oxygen reduction reaction

Author:

Bothra Pallavi1234,Pandey Mohnish56789,Pati Swapan K.1234

Affiliation:

1. Theoretical Sciences Unit and New Chemistry Unit

2. Jawaharlal Nehru Centre for Advanced Scientific Research

3. Bangalore

4. India

5. Center for Atomic-scale Materials Design

6. Department of Physics

7. Technical University of Denmark

8. DK-2800 Kongens Lyngby

9. Denmark

Abstract

In the present work, we have investigated the electrocatalytic activity of the oxygen reduction reaction (ORR), O2 + 4H+ + 4e → 2H2O, for (Pt)n clusters (n = 1, 2, 3, 5, 7, 10 and 12) adsorbed on semiconducting (2H) and metallic (1T) MoS2 monolayers using first principles density functional theory.

Publisher

Royal Society of Chemistry (RSC)

Subject

Catalysis

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