Cu dimer anchored on C2N monolayer: low-cost and efficient Bi-atom catalyst for CO oxidation
Keyword(s):
Low Cost
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By means of density functional theory (DFT) computations, we systemically investigated CO/O2 adsorption and CO oxidation pathways on a bi-atom catalyst, namely, a copper dimer anchored on a C2N monolayer (Cu2@C2N), and we compared it with its monometallic counterpart Cu1@C2N.
Keyword(s):
2017 ◽
Vol 19
(33)
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pp. 22344-22354
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Optical properties of magnesium nanorods using time dependent density functional theory calculations
2018 ◽
Vol 20
(45)
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pp. 28903-28909
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2016 ◽
Vol 144
(5)
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pp. 054111
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2016 ◽
Vol 18
(19)
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pp. 13232-13238
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2015 ◽
Vol 90
(1)
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pp. 72-88
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2019 ◽
Vol 383
(20)
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pp. 2436-2442
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2019 ◽
Vol 21
(14)
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pp. 7661-7674
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