Ontology highlight
ABSTRACT:
SUBMITTER: Li Q
PROVIDER: S-EPMC6811612 | biostudies-literature | 2019
REPOSITORIES: biostudies-literature
Li Qiaoling Q Zhang Tianran T Yu Xiaofei X Wu Xiaoyu X Zhang Xinghua X Lu Zunming Z Yang Xiaojing X Huang Yang Y Li Lanlan L
Frontiers in chemistry 20191017
The development of efficient, stable, and low-cost catalytic material for the oxygen reduction reaction (ORR) is currently highly desirable but challenging. In this work, based on first-principles calculation, the stabilities, catalytic activities and catalytic mechanisms of isolated Au atom supported on defective porous BN (p-BN) have been studied in detail. The results reveal that the defective p-BN anchor Au atom strongly to ensure the stability of Au/p-BN. Based on frontier molecular orbital ...[more]