KyuHo Lee

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Organometallic nanomaterials hold the promise for molecular hydrogen (H(2)) storage by providing nearly ideal binding strength to H(2) for room-temperature applications. Synthesizing such materials, however, faces severe setbacks due to the problem of metal clustering. Inspired by a recent experimental breakthrough ( J. Am. Chem. Soc. 2008 , 130 , 6992 ),(More)
Hydrogen spillover on carbon-based systems has been proposed as a viable alternative for room-temperature storage. Given the strength of the C-H bonds, however, it is unclear if spillover indeed takes place in such materials. We performed a first-principles study of H spillover on IRMOF-1. Spillover becomes thermodynamically stable only at high H coverage(More)
We mapped spatially varying intramolecular electronic structures on a pentacene-gold interface using scanning tunneling spectroscopy. Along with ab initio calculations based on density functional theory, we found that the directional nature of the d orbitals of Au atoms plays an important role in the interaction at the pentacene-gold contact. The(More)
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