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Published in 2018 at "Materials Chemistry and Physics"
DOI: 10.1016/j.matchemphys.2017.12.048
Abstract: Abstract Metal-free catalysts have attracted wide attention due to their potentially catalytic applications. We performed density functional theory (DFT) calculations to investigate the different reaction mechanisms for CO catalytic oxidation on single-atom B incorporated into…
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Keywords:
oxidation;
free catalyst;
divacancy nitrogen;
sheet ... See more keywords