386 citations · 2.2k across the 31 of their papers we have counts for
14 papers · 1 filter
Topological Phases in Cove-Edged and Chevron Graphene Nanoribbons: Geometric Structures, Z2 Invariants, and Junction States
Yea-Lee Lee, Fangzhou Zhao, Ting Cao +2
Graphene nanoribbons (GNRs) have recently been shown by Cao, Zhao, and Louie [Cao, T.; Zhao, F.; Louie, S. G. Phys. Rev. Lett. 2017, 119, 076401] to possess distinct topological ph…
Type-II Dirac line node in strained Na3N
Dongwook Kim, Seongjin Ahn, Jong Hyun Jung +4
Dirac line node (DLN) semimetals are a class of topological semimetals that feature band-crossing lines in momentum space. We study the type-I and type-II classification of DLN sem…
A Rigorous Method of Calculating Exfoliation Energies from First Principles
Jong Hyun Jung, Cheol-Hwan Park, Jisoon Ihm
The exfoliation energy, the energy required to peel off an atomic layer from the surface of a bulk material, is of fundamental importance in the science and engineering of two-dime…
Releasing H2 molecules with a partial pressure difference without the use of temperature
Hoonkyung Lee, Bing Huang, Wenhui Duan +1
Using the pseudopotential density functional method as well as equilibrium thermodynamic functions, we explore the process of releasing H2 molecules adsorbed on a transition metal…
Ab initio study of beryllium-decorated fullerenes for hydrogen storage
Hoonkyung Lee, Bing Huang, Wenhui Duan +1
We have found that a beryllium (Be) atom on nanostructured materials with H2 molecules generates a Kubas-like dihydrogen complex [H. Lee et al. arXiv:1002.2247v1 (2010)]. Here, we…
Beryllium-dihydrogen complexes on nanostructures
Hoonkyung Lee, Bing Huang, Wenhui Duan +1
Using the pseudopotential density functional method, we find that a Be atom on a nanostructure with H2 molecules forms a Be-dihydrogen complex through the hybridization of the Be s…