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Published in 2020 at "Molecular Physics"
DOI: 10.1080/00268976.2020.1759830
Abstract: Density functional theory calculations are performed to probe reaction pathways of N2O reduction by CO molecule catalysed over Si-doped C3N (Si-C3N) nanosheets. According to our results, a single Si atom can be stabilised above the…
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Keywords:
atom;
reduction;
c3n monolayers;
single atom ... See more keywords