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Lee, Zonghoon
Atomic-Scale Electron Microscopy (ASEM) Lab
Research Interests
  • Advanced Transmission Electron Microscopy (TEM/STEM), in Situ TEM, graphene, 2D materials, low-dimensional crystals, nanostructured materials

Importance of kink energy in calculating the formation energy of a graphene edge

DC Field Value Language Lee, Wookhee ko Hedman, Daniel ko Dong, Jichen ko Zhang, Leining ko Lee, Zonghoon ko Kim, Sung Youb ko Ding, Feng ko 2023-09-15T04:26:12Z - 2023-09-13 ko 2023-06 ko
dc.identifier.citation PHYSICAL REVIEW B, v.107, no.24, pp.245420 ko
dc.identifier.issn 2469-9950 ko
dc.identifier.uri -
dc.description.abstract The formation energy of an arbitrary graphene edge or that of other 2D materials has been estimated as a summation of the armchair (AC) and zigzag (ZZ) edge sites. Such an estimation assumes that each site is independent from its neighboring sites, which is unlikely due to the overlap of electron densities. Here, we show that to accurately calculate the formation energy of graphene edges with various functional groups the energy of the junction between AC and ZZ sites, the "kink energy," is essential. It is significant that the kink energies of graphene edges with different functional groups are all negative, namely, kink formation stabilizes the chiral graphene edges. ko
dc.language 영어 ko
dc.publisher AMER PHYSICAL SOC ko
dc.title Importance of kink energy in calculating the formation energy of a graphene edge ko
dc.type ARTICLE ko
dc.identifier.scopusid 2-s2.0-85163522987 ko
dc.identifier.wosid 001055519000001 ko
dc.type.rims ART ko
dc.identifier.doi 10.1103/PhysRevB.107.245420 ko
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