2011 Fiscal Year Final Research Report
Modeling of One-dimensional Quantum Hydrogen by Path Integral Formalism
| Project/Area Number |
23651095
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| Research Category |
Grant-in-Aid for Challenging Exploratory Research
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| Allocation Type | Multi-year Fund |
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| Research Field |
Nanostructural science
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| Research Institution | Kyoto University |
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Principal Investigator |
TANAKA Hideki 京都大学, 工学研究科, 講師 (80376368)
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| Project Period (FY) |
2011
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| Keywords | 一次元量子水素 / X線回折測定 / 経路積分 |
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| Research Abstract |
One-dimensional system of confined H2 and D2 in the porous coordination polymer([Ca(C4O4)(H2O)] n)(PCP 1) was investigated by the powder X-ray structural analysis with synchrotron radiation(SPring8, BL02B2 beamline), low temperature adsorption measurement, and molecular simulation based on the Feynman path integral formalism. Quantum effects due to the uncertainty of the position of a confined molecule were successfully observed for the one-dimensional system of confined H2 and D2 in PCP 1.
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