270 citations · 1.6k across the 39 of their papers we have counts for
7 papers · 1 filter
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…
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…
The Half-Metallicity of Zigzag Graphene Nanoribbons with Asymmetric Edge Terminations
Zuanyi Li, Bing Huang, Wenhui Duan
The spin-polarized electronic structure and half-metallicity of zigzag graphene nanoribbons (ZGNRs) with asymmetric edge terminations are investigated by using first principles cal…
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…
Quantum Manifestations of Graphene Edge Stress and Edge Instability: A First-Principles Study
Bing Huang, Miao Liu, Ninghai Su +4
We have performed first-principles calculations of graphene edge stresses, which display two interesting quantum manifestations absent from the classical interpretation: the armcha…
Towards Graphene Nanoribbon-based Electronics
Bing Huang, Qimin Yan, Zuanyi Li +1
The successful fabrication of single layer graphene has greatly stimulated the progress of the research on graphene. In this article, focusing on the basic electronic and transport…