In:
Angewandte Chemie, Wiley, Vol. 130, No. 31 ( 2018-07-26), p. 9971-9975
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 1 H and 2 H 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.
Type of Medium:
Online Resource
ISSN:
0044-8249
,
1521-3757
DOI:
10.1002/ange.v130.31
DOI:
10.1002/ange.201805753
Language:
English
Publisher:
Wiley
Publication Date:
2018
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