DC Field | Value | Language |
---|---|---|
dc.contributor.author | Joo, Jaeyong | ko |
dc.contributor.author | Kim, Hyungjun | ko |
dc.contributor.author | Han, Sang Soo | ko |
dc.date.accessioned | 2014-08-28T08:33:55Z | - |
dc.date.available | 2014-08-28T08:33:55Z | - |
dc.date.created | 2013-11-19 | - |
dc.date.created | 2013-11-19 | - |
dc.date.issued | 2013 | - |
dc.identifier.citation | PHYSICAL CHEMISTRY CHEMICAL PHYSICS, v.15, no.43, pp.18822 - 18826 | - |
dc.identifier.issn | 1463-9076 | - |
dc.identifier.uri | http://hdl.handle.net/10203/188574 | - |
dc.description.abstract | Using a density functional theory calculation including van der Waals (vdW) corrections, we report that H-2 adsorption in a cubic-crystalline microporous metal-organic framework (MOF-5) leads to volume shrinkage, which is in contrast to the intuition that gas adsorption in a confined system (e. g., pores in a material) increases the internal pressure and then leads to volumetric expansion. This extraordinary phenomenon is closely related to the vdW interactions between MOF and H-2 along with the H-2-H-2 interaction, rather than the Madelung-type electrostatic interaction. At low temperatures, H-2 molecules adsorbed in the MOF-5 form highly symmetrical interlinked nanocages that change from a cube-like shape to a sphere-like shape with H-2 loading, helping to exert centrosymmetric forces and hydrostatic (volumetric) stresses from the collection of dispersive interactions. The generated internal negative stress is sufficient to overcome the stiffness of the MOF-5 which is a soft material with a low bulk modulus (15.54 GPa). | - |
dc.language | English | - |
dc.publisher | ROYAL SOC CHEMISTRY | - |
dc.subject | NEGATIVE THERMAL-EXPANSION | - |
dc.subject | DENSITY-FUNCTIONAL THEORY | - |
dc.subject | HYDROGEN STORAGE | - |
dc.subject | ADSORPTION | - |
dc.subject | SEPARATION | - |
dc.subject | PRESSURE | - |
dc.subject | CAPTURE | - |
dc.subject | METHANE | - |
dc.subject | CO2 | - |
dc.subject | ZN | - |
dc.title | Volume shrinkage of a metal-organic framework host induced by the dispersive attraction of guest gas molecules | - |
dc.type | Article | - |
dc.identifier.wosid | 000325943200008 | - |
dc.identifier.scopusid | 2-s2.0-84886897359 | - |
dc.type.rims | ART | - |
dc.citation.volume | 15 | - |
dc.citation.issue | 43 | - |
dc.citation.beginningpage | 18822 | - |
dc.citation.endingpage | 18826 | - |
dc.citation.publicationname | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | - |
dc.identifier.doi | 10.1039/c3cp53256a | - |
dc.embargo.liftdate | 9999-12-31 | - |
dc.embargo.terms | 9999-12-31 | - |
dc.contributor.localauthor | Kim, Hyungjun | - |
dc.contributor.nonIdAuthor | Joo, Jaeyong | - |
dc.contributor.nonIdAuthor | Han, Sang Soo | - |
dc.type.journalArticle | Article | - |
dc.subject.keywordPlus | NEGATIVE THERMAL-EXPANSION | - |
dc.subject.keywordPlus | DENSITY-FUNCTIONAL THEORY | - |
dc.subject.keywordPlus | HYDROGEN STORAGE | - |
dc.subject.keywordPlus | ADSORPTION | - |
dc.subject.keywordPlus | SEPARATION | - |
dc.subject.keywordPlus | PRESSURE | - |
dc.subject.keywordPlus | CAPTURE | - |
dc.subject.keywordPlus | METHANE | - |
dc.subject.keywordPlus | CO2 | - |
dc.subject.keywordPlus | ZN | - |
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