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cond-mat.mes-hall2020★ 2 cited
Edge-functionalization of armchair graphene nanoribbons with pentagonal-hexagonal edge structures
Junga Ryou, Jinwoo Park, Gunn Kim +1
Using density functional theory calculations, we have studied the edge-functionalization of armchair graphene nanoribbons (AGNRs) with pentagonal-hexagonal edge structures. While t…
cond-mat.mes-hall2011★ 9 cited
Origins of dihydrogen binding to metal-inserted porphyrins: electric polarization and Kubas interaction
Junga Ryou, Gunn Kim, Suklyun Hong
Using density functional theory calculations, we have investigated the interactions between hydrogen molecules and metalloporphyrins. A metal atom such as Ca or Ti is introduced fo…