A Cr-phthalocyanine monolayer as a potential catalyst for NO reduction investigated by DFT calculations
© 2016 The Royal Society of Chemistry. The reaction mechanism of nitric oxide (NO) reduction to nitrous oxide (N 2 O) and N 2 catalyzed by a Cr-phthalocyanine sheet (CrPc) was investigated using periodic density functional theory (DFT). The results show that direct NO dissociation on the catalyst i...
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| Main Authors: | , , , , |
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| Format: | Journal |
| Published: |
2017
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| Online Access: | https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84959201851&origin=inward http://cmuir.cmu.ac.th/jspui/handle/6653943832/42560 |
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| Institution: | Chiang Mai University |