Combined DFT and kinetic Monte Carlo study of a bridging-spillover mechanism on fluorine-decorating graphene
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In this work, combining the first-principles calculations with kinetic Monte Carlo (KMC) simulations, we constructed an irregular carbon bridge on the graphene surface and explored the process of H migration...
2005 ◽
Vol 176
(39-40)
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pp. 3035-3040
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2014 ◽
Vol 118
(34)
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pp. 19759-19767
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2012 ◽
Vol 285
(1)
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pp. 187-195
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2018 ◽
Vol 43
(4)
◽
pp. 2247-2255
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