DFT-guided synthesis of N, B dual-doped porous carbon from saccharina japonica for enhanced oxygen reduction catalysis

IntroductionThe oxygen reduction reaction (ORR) is a crucial determinant of the energy transformation capacity of fuel cells. This study investigates the performance of N and B dual-doped carbon in ORR.MethodsSix models using density functional theory (DFT) are developed to compare the performance o...

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Bibliographic Details

Published in:	Frontiers in Chemistry
Main Authors:	Junjie Zhang, Chao Wu, Jilong Wang, Maosong Xia, Shixin Li, Long Liu, Wuguo Wei, Xing Peng
Format:	Article
Language:	English
Published:	Frontiers Media S.A. 2024-11-01
Subjects:	ORR DFT N and B dual-doping carbon fuel cell biomass
Online Access:	https://www.frontiersin.org/articles/10.3389/fchem.2024.1478560/full