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Quantum-chemical insights into the design of molecule-modified Pt catalysts for the oxygen reduction reaction.

PubMed
Authors: Tada K, Kinugawa S, Yamazaki SI, Kitano Y, Kitagawa Y, Asahi M, Chida Y, Ioroi T

Year

2026

Paper ID

56429

Status

Peer-reviewed

Abstract Read

~2 min

Abstract Words

62

Citations

N/A

Abstract

The present study provides insights into the rational design of molecular modifiers for oxygen reduction reaction (ORR) catalysts, which are of significant societal interest. Specifically, (1) the strength of modifier-Pt interactions and ORR activity have a volcano-shaped correlation, and (2) the strength is explained using the HOMO of the modifier. These are derived from the coordination bond affinity between the organic modifier and Pt.

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  • This paper contributes to the Quantum Chemistry research area in the Quantum Articles archive.
  • It adds a 2026 reference point for readers tracking recent quantum research.
  • The present study provides insights into the rational design of molecular modifiers for oxygen reduction reaction (ORR) catalysts, which are of significant societal interest.

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References & Citation Signals

[1] DOI https://doi.org/10.1039/d6cp00348f [2] Publisher https://pubmed.ncbi.nlm.nih.gov/41949126/

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