451 citations · 1.9k across the 26 of their papers we have counts for
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Edge Stability of BN sheets and Its Application for Designing Hybrid BNC Structures
Bing Huang, Hoonkyung Lee, Bing-Lin Gu +2
First-principles investigations on the edge energies and edge stresses of single-layer hexagonal boron-nitride (BN) are presented. The armchair edges of BN nanoribbons (BNNRs) are…
Selective Functionalization of Halogens on Zigzag Graphene Nanoribbons: A Route to the Separation of Zigzag Graphene Nanoribbons
Hoonkyung Lee, Marvin L. Cohen, Steven G. Louie
Using the ab initio pseudopotential density functional method, we investigate the functionalization of halogen molecules into graphene-based nanostructures with zigzag and armchair…
Preferential functionalization on zigzag graphene nanoribbons: First-principles calculations
Hoonkyung Lee
We investigate the functionalization of functional groups to graphene nanoribbons with zigzag and armchair edges using first principles calculations. We find that the formation ene…
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…
Effect of the benzyl groups on the binding of H2 by three-coordinated Ti complexes
Hoonkyung Lee
Using first-principles calculations, we investigate the adsorption of H2 molecules on a three-coordinated benzyl-decorated titanium complex suggested in a recent experiment [Hamaed…
Gate-Controlled Ionization and Screening of Cobalt Adatoms on a Graphene Surface
Victor W. Brar, Regis Decker, Hans-Michael Solowan +9
We describe scanning tunneling spectroscopy (STS) measurements performed on individual cobalt (Co) atoms deposited onto backgated graphene devices. We find that Co adatoms on graph…