61 citations · 642 across the 32 of their papers we have counts for
33 papers
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…
Adsorption properties of dopamine derivatives using carbon nanotubes: A first-principles study
Heeju Kim, Gunn Kim
Detecting dopamine is of great biological importance because the molecule plays many roles in the human body. For instance, the lack of dopamine release is the cause of Parkinson's…
Equilibrium structures of water molecules confined within a multiply connected carbon nanotube: a molecular dynamics study
Taehoon Kim, Gwan Woo Kim, Hyunah Jeong +2
Water confinement inside a carbon nanotube (CNT) has been one of the most exciting subjects of both experimental and theoretical interest. Most of the previous studies, however, co…
Dynamics of liquid crystal on hexagonal lattice
Muhammad Arslan Shehzad, Junsu Lee, Sang Hoon Park +8
Nematic liquid crystal (LC) molecules adsorbed on two dimensional materials are aligned along the crystal directions of the hexagonal lattice. It was demonstrated that short electr…
Zero-line modes at stacking faulted domain walls in multilayer graphene
Changhee Lee, Gunn Kim, Jeil Jung +1
Rhombohedral multilayer graphene is a physical realization of the chiral two-dimensional electron gas that can host zero-line modes (ZLMs), also known as kink states, when the loca…
Ab initio Study of Aspirin Adsorption on Single-walled Carbon and Carbon Nitride Nanotubes
Yongju Lee, Dae-Gyeon Kwon, Gunn Kim +1
We use ab intio density functional theory to investigate the adsorption properties of acetylsalicylic acid or aspirin on a (10, 0) carbon nanotube (CNT) and a (8, 0) triazine-based…