386 citations · 2.2k across the 31 of their papers we have counts for
4 papers · 2 filters
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…
Calcium-Decorated Graphene-Based Nanostructures for Hydrogen Storage
Hoonkyung Lee, Jisoon Ihm, Marvin L. Cohen +1
We report a first-principles study of hydrogen storage media consisting of calcium atoms and graphene-based nanostructures. We find that Ca atoms prefer to be individually adsorbed…