Affiliation:
1. Department of Chemistry, Graduate School of Science Tokyo Metropolitan University Hachioji Tokyo Japan
2. Department of Chemistry Rajshahi University of Engineering & Technology Rajshahi Bangladesh
Abstract
AbstractChlorine is an important chemical which has long been produced in chlor‐alkali process using dimensionally stable anodes (DSA). However, some serious drawbacks of DSA inspire the development of alternative anodes for chlorine evolution reaction (CER). In this study, we focused on the graphene‐ and carbon nanotube‐supported platinum tetra‐phenyl porphyrins as electrocatalysts for CER, which have been theoretically investigated based on density functional theory. Our results reveal that the supported substrates possess potential CER electrocatalytic activity with very low thermodynamic overpotentials (0.012–0.028 V) via Cl* pathway instead of ClO*. The electronic structures analyses showed that electron transfer from the support to the adsorbed chlorine via the Pt center leads to strong Pt–Cl interactions. Furthermore, the supported electrocatalysts exhibited excellent selectivity toward CER because of high overpotentials and reaction barriers of oxygen evolution process. Therefore, our results may pave the way for designing CER electrocatalyst utilizing emerging carbon nanomaterials.
Funder
Japan Science and Technology Agency