arXiv subjects
Publications and source records attributed to Z. F. Liu.
A molecular sieve for hydrogen is presented based on a carbon nanotube intramolecular junction and a $C_{60}$. The small interspace formed between $C_{60}$ and junction provides a size changeable channel for the permselectivity of hydrogen while blocking $Ne$ and $Ar$. The sieving mechanism is due to the high compressibility of hydrogen.
By using a newly fitted multi-parameter potential to describe the van der Waals interaction between carbon and molecular hydrogen, we study the hydrogen storage inside carbon nanotubes (CNT's) under pressure in gigapascal range. Comparing with the results of graphite, we find that the shape change of the nanotubes (the curvature effect) provides a different storage mechanism for hydrogen. The negative free energy change for hydrogen storage inside CNT's makes it possible to use CNT's as the nanocontainer [Carbon 45, 315 (2007)].