The Electronic State of Hydrogen in the α Phase of the Hydrogen-Storage Material PdH(D)x

Does a Chemical Bond Between Palladium and Hydrogen Exist?

Shun Dekura, Hirokazu Kobayashi, Ryuichi Ikeda, Mitsuhiko Maesato, Haruka Yoshino, Masaaki Ohba, Takayoshi Ishimoto, Shogo Kawaguchi, Yoshiki Kubota, Satoru Yoshioka, Syo Matsumura, Takeharu Sugiyama, Hiroshi Kitagawa

研究成果: ジャーナルへの寄稿記事

4 引用 (Scopus)

抄録

The palladium–hydrogen system is one of the most famous hydrogen-storage systems. Although there has been much research on β-phase PdH(D)x, we comprehensively investigated the nature of the interaction between Pd and H(D) in α-phase PdH(D)x (x<0.03 at 303 K), and revealed the existence of Pd−H(D) chemical bond for the first time, by various in situ experimental techniques and first-principles theoretical calculations. The lattice expansion, magnetic susceptibility, and electrical resistivity all provide evidence. In situ solid-state 1H and 2H NMR spectroscopy and first-principles theoretical calculations revealed that a Pd−H(D) chemical bond exists in the α phase, but the bonding character of the Pd−H(D) bond in the α phase is quite different from that in the β phase; the nature of the Pd−H(D) bond in the α phase is a localized covalent bond whereas that in the β phase is a metallic bond.

元の言語英語
ページ(範囲)9823-9827
ページ数5
ジャーナルAngewandte Chemie - International Edition
57
発行部数31
DOI
出版物ステータス出版済み - 7 26 2018

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Chemical bonds
Hydrogen storage
Palladium
Electronic states
Hydrogen
Covalent bonds
Magnetic susceptibility
Nuclear magnetic resonance spectroscopy

All Science Journal Classification (ASJC) codes

  • Catalysis
  • Chemistry(all)

これを引用

The Electronic State of Hydrogen in the α Phase of the Hydrogen-Storage Material PdH(D)x : Does a Chemical Bond Between Palladium and Hydrogen Exist? / Dekura, Shun; Kobayashi, Hirokazu; Ikeda, Ryuichi; Maesato, Mitsuhiko; Yoshino, Haruka; Ohba, Masaaki; Ishimoto, Takayoshi; Kawaguchi, Shogo; Kubota, Yoshiki; Yoshioka, Satoru; Matsumura, Syo; Sugiyama, Takeharu; Kitagawa, Hiroshi.

:: Angewandte Chemie - International Edition, 巻 57, 番号 31, 26.07.2018, p. 9823-9827.

研究成果: ジャーナルへの寄稿記事

Dekura, Shun ; Kobayashi, Hirokazu ; Ikeda, Ryuichi ; Maesato, Mitsuhiko ; Yoshino, Haruka ; Ohba, Masaaki ; Ishimoto, Takayoshi ; Kawaguchi, Shogo ; Kubota, Yoshiki ; Yoshioka, Satoru ; Matsumura, Syo ; Sugiyama, Takeharu ; Kitagawa, Hiroshi. / The Electronic State of Hydrogen in the α Phase of the Hydrogen-Storage Material PdH(D)x : Does a Chemical Bond Between Palladium and Hydrogen Exist?. :: Angewandte Chemie - International Edition. 2018 ; 巻 57, 番号 31. pp. 9823-9827.
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abstract = "The palladium–hydrogen system is one of the most famous hydrogen-storage systems. Although there has been much research on β-phase PdH(D)x, we comprehensively investigated the nature of the interaction between Pd and H(D) in α-phase PdH(D)x (x<0.03 at 303 K), and revealed the existence of Pd−H(D) chemical bond for the first time, by various in situ experimental techniques and first-principles theoretical calculations. The lattice expansion, magnetic susceptibility, and electrical resistivity all provide evidence. In situ solid-state 1H and 2H NMR spectroscopy and first-principles theoretical calculations revealed that a Pd−H(D) chemical bond exists in the α phase, but the bonding character of the Pd−H(D) bond in the α phase is quite different from that in the β phase; the nature of the Pd−H(D) bond in the α phase is a localized covalent bond whereas that in the β phase is a metallic bond.",
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AU - Ikeda, Ryuichi

AU - Maesato, Mitsuhiko

AU - Yoshino, Haruka

AU - Ohba, Masaaki

AU - Ishimoto, Takayoshi

AU - Kawaguchi, Shogo

AU - Kubota, Yoshiki

AU - Yoshioka, Satoru

AU - Matsumura, Syo

AU - Sugiyama, Takeharu

AU - Kitagawa, Hiroshi

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