TY - JOUR
T1 - Hydride ion (H-) transport behavior in barium hydride under high pressure
AU - Zhang, Xin
AU - Wang, Xiaoli
AU - Wang, Qinglin
AU - Ma, Xinjun
AU - Liu, Chunming
AU - Li, Peifang
AU - Liu, Cailong
AU - Han, Yonghao
AU - Ma, Yanzhang
AU - Gao, Chunxiao
N1 - Funding Information:
This work was supported by the National Natural Science Foundation of China (Grant No. 11404133, 11674404, 11374121, 11774126, 11604133, 11304143, and 11674144), the Natural Science Foundation of Shandong Province (Grant No. JQ201602), the Open Project of State Key Laboratory of Superhard Materials (Jilin University, Grant No. 201612), and the Initial Foundation for Doctor Program of Liaocheng University (Grant No. 318051610).
Publisher Copyright:
© 2018 the Owner Societies.
PY - 2018
Y1 - 2018
N2 - Hydride ions (H-) have an appropriate size for fast transport, which makes the conduction of H- attractive. In this work, the H- transport properties of BaH2 have been investigated under pressure using in situ impedance spectroscopy measurements up to 11.2 GPa and density functional theoretical calculations. The H- transport properties, including ionic migration resistance, relaxation frequency, and relative permittivity, change significantly with pressure around 2.3 GPa, which can be attributed to the structural phase transition of BaH2. The ionic migration barrier energy of the P63/mmc phase decreases with pressure, which is responsible for the increased ionic conductivity. A huge dielectric constant at low frequencies is observed, which is related to the polarization of the H- dipoles. The current study establishes general guidelines for developing high-energy storage and conversion devices based on hydride ion transportation.
AB - Hydride ions (H-) have an appropriate size for fast transport, which makes the conduction of H- attractive. In this work, the H- transport properties of BaH2 have been investigated under pressure using in situ impedance spectroscopy measurements up to 11.2 GPa and density functional theoretical calculations. The H- transport properties, including ionic migration resistance, relaxation frequency, and relative permittivity, change significantly with pressure around 2.3 GPa, which can be attributed to the structural phase transition of BaH2. The ionic migration barrier energy of the P63/mmc phase decreases with pressure, which is responsible for the increased ionic conductivity. A huge dielectric constant at low frequencies is observed, which is related to the polarization of the H- dipoles. The current study establishes general guidelines for developing high-energy storage and conversion devices based on hydride ion transportation.
UR - http://www.scopus.com/inward/record.url?scp=85044831609&partnerID=8YFLogxK
U2 - 10.1039/c7cp08386f
DO - 10.1039/c7cp08386f
M3 - Article
C2 - 29557428
AN - SCOPUS:85044831609
VL - 20
SP - 8917
EP - 8923
JO - Physical Chemistry Chemical Physics
JF - Physical Chemistry Chemical Physics
SN - 1463-9076
IS - 13
ER -