2020年12月
Dynamical Quantum Filtering via Enhanced Scattering of para-H2 on the Orientationally Anisotropic Potential of SrTiO3(001)
Scientific Reports
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- 巻
- 10
- 号
- 5939
- 開始ページ
- 1
- 終了ページ
- 11
- 記述言語
- 英語
- 掲載種別
- 研究論文(学術雑誌)
- DOI
- 10.1038/s41598-020-62605-8
- 出版者・発行元
- Springer Science and Business Media LLC
<title>Abstract</title>Quantum dynamics calculation, performed on top of density functional theory (DFT)-based total energy calculations, show dynamical quantum filtering via enhanced scattering of <italic>para</italic>-H2 on SrTiO3(001). We attribute this to the strongly orientation-dependent (electrostatic) interaction potential between the H2 (induced) quadrupole moment and the surface electric field gradient of ionic SrTiO3(001). These results suggest that ionic surfaces could function as a scattering/filtering media to realize rotationally state-resolved H2. This could find significant applications not only in H2 storage and transport, but also in realizing materials with pre-determined characteristic properties.
- リンク情報
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- DOI
- https://doi.org/10.1038/s41598-020-62605-8
- PubMed
- https://www.ncbi.nlm.nih.gov/pubmed/32246021
- PubMed Central
- https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7125136
- URL
- http://www.nature.com/articles/s41598-020-62605-8.pdf
- URL
- http://www.nature.com/articles/s41598-020-62605-8
- Scopus
- https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85083041932&origin=inward 本文へのリンクあり
- Scopus Citedby
- https://www.scopus.com/inward/citedby.uri?partnerID=HzOxMe3b&scp=85083041932&origin=inward
- ID情報
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- DOI : 10.1038/s41598-020-62605-8
- eISSN : 2045-2322
- ORCIDのPut Code : 73318372
- PubMed ID : 32246021
- PubMed Central 記事ID : PMC7125136
- SCOPUS ID : 85083041932