論文

査読有り 招待有り 責任著者 本文へのリンクあり 国際誌
2020年12月

Dynamical Quantum Filtering via Enhanced Scattering of para-H2 on the Orientationally Anisotropic Potential of SrTiO3(001)

Scientific Reports
  • Koji Shimizu
  • ,
  • Wilson Agerico Diño
  • ,
  • Hiroshi Nakanishi
  • ,
  • Hideaki Kasai
  • ,
  • Kotaro Takeyasu
  • ,
  • Katsuyuki Fukutani
  • ,
  • Ayako Yajima

10
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
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
  • 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

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