Publications
Prof. Zonghoon Lee’s Atomic-Scale Electron Microscopy Lab
Publications
Link to Google Scholar
Publications in Nature | Science | their sister journals
Nature, 629, 348-354,2024 / Nature Communications, 14:4747, 2023 / Nature Communications, 13:4916, 2022 / Nature Communications, 13:2759, 2022 / Nature, 596, 519-524, 2021 / Nature, 582, 511-514, 2020 / Nature Nanotechnology, 15, 289-295, 2020 / Nature Nanotechnology, 15, 59-66, 2020 / Science Advances, 6 (10), eaay4958, 2020 / Nature Electronics, 3, 207-215, 2020 / Nature Communications, 11 (1437), 2020 / Nature Energy, 3, 773-782, 2018 / Nature Communications, 8:1549, 2017 / Nature Communications, 6:8294, 2015 / Nature Communications, 6:7817, 2015 / Nature Communications, 5:3383, 2014
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.