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Esrafili, Mehdi D., Nematollahi, Parisa, Abdollahpour, Hadi (2016) A comparative DFT study on the CO oxidation reaction over Al- and Ge-embedded graphene as efficient metal-free catalysts. Applied Surface Science, 378. 418-425 doi:10.1016/j.apsusc.2016.04.012

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Reference TypeJournal (article/letter/editorial)
TitleA comparative DFT study on the CO oxidation reaction over Al- and Ge-embedded graphene as efficient metal-free catalysts
JournalApplied Surface Science
AuthorsEsrafili, Mehdi D.Author
Nematollahi, ParisaAuthor
Abdollahpour, HadiAuthor
Year2016 (August)Volume378
PublisherElsevier BV
DOIdoi:10.1016/j.apsusc.2016.04.012Search in ResearchGate
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Mindat Ref. ID9928376Long-form Identifiermindat:1:5:9928376:2
GUID0
Full ReferenceEsrafili, Mehdi D., Nematollahi, Parisa, Abdollahpour, Hadi (2016) A comparative DFT study on the CO oxidation reaction over Al- and Ge-embedded graphene as efficient metal-free catalysts. Applied Surface Science, 378. 418-425 doi:10.1016/j.apsusc.2016.04.012
Plain TextEsrafili, Mehdi D., Nematollahi, Parisa, Abdollahpour, Hadi (2016) A comparative DFT study on the CO oxidation reaction over Al- and Ge-embedded graphene as efficient metal-free catalysts. Applied Surface Science, 378. 418-425 doi:10.1016/j.apsusc.2016.04.012
In(n.d.) Applied Surface Science Vol. 378. Elsevier BV

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Esrafili, Mehdi D., Sharifi, Fahimeh, Nematollahi, Parisa (2016) Al- or Si-decorated graphene oxide: A favorable metal-free catalyst for the N2O reduction. Applied Surface Science, 387. 454-460 doi:10.1016/j.apsusc.2016.06.127
Esrafili, Mehdi D., Mohammadian-Sabet, Fariba, Nematollahi, Parisa (2016) Oxidation of CO by N2O over Al- and Ti-doped graphene: a comparative study. RSC Advances, 6 (69). 64832-64840 doi:10.1039/c6ra04326g
Nematollahi, Parisa, Neyts, Erik C. (2018) A comparative DFT study on CO oxidation reaction over Si-doped BC2N nanosheet and nanotube. Applied Surface Science, 439. 934-945 doi:10.1016/j.apsusc.2017.12.254
Esrafili, Mehdi D., Saeidi, Nasibeh, Nematollahi, Parisa (2016) A DFT study on SO3 capture and activation over Si- or Al-doped graphene. Chemical Physics Letters, 658. 146-151 doi:10.1016/j.cplett.2016.06.045
Esrafili, Mehdi D., Nematollahi, Parisa, Nurazar, Roghaye (2016) A comparative study of the CO oxidation reaction over pristine and C-doped boron nitride fullerene. RSC Advances, 6 (21). 17172-17178 doi:10.1039/c5ra25069b
Esrafili, Mehdi D., Mousavian, Parisasadat (2018) Probing reaction pathways for oxidation of CO by O2 molecule over P-doped divacancy graphene: A DFT study. Applied Surface Science, 440. 580-585 doi:10.1016/j.apsusc.2018.01.209
Esrafili, Mehdi D., Vessally, Esmail (2018) N2O + CO reaction over single Ga or Ge atom embedded graphene: A DFT study. Surface Science, 667. 105-111 doi:10.1016/j.susc.2017.10.001
Nematollahi, Parisa, Esrafili, Mehdi D. (2016) A DFT study on the N2O reduction by CO molecule over silicon carbide nanotubes and nanosheets. RSC Advances, 6 (64). 59091-59099 doi:10.1039/c6ra07548g
Esrafili, Mehdi D., Asadollahi, Soheila (2019) Exploring different reaction mechanisms for oxidation of CO over a single Pd atom incorporated nitrogen-doped graphene: A DFT study. Applied Surface Science, 463. 526-534 doi:10.1016/j.apsusc.2018.08.249
Esrafili, Mehdi D., Saeidi, Nasibeh, Nematollahi, Parisa (2016) Si-doped graphene: A promising metal-free catalyst for oxidation of SO2. Chemical Physics Letters, 649. 37-43 doi:10.1016/j.cplett.2016.02.028
Esrafili, Mehdi D., Saeidi, Nasibeh, Nematollahi, Parisa (2015) Can Si-embedded boron nitride nanotubes act as a favorable metal-free catalyst for CO oxidation by N2O?. RSC Advances, 5 (121). 100290-100298 doi:10.1039/c5ra20180b
 
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