Multifunctional electrocatalysis on transition metal-doped biphenylene: a first-principles and machine learning study of single-atom catalysts for HER, OER, and ORR

Journal of Materials Chemistry A 2026 Open access

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Authors: Dinesh Kumar Dhanthala Chittibabu, Hsin-Tsung Chen

DOI: 10.1039/d5ta10121b

Cited by: 8

References: 68

Abstract

Machine-learning-assisted DFT screening identifies high-performance TM single-atom catalysts on biphenylene for electrochemical HER/OER/ORR.

Electrocatalysts for Energy Conversion Ammonia Synthesis and Nitrogen Reduction Machine Learning in Materials Science

References 68