TY - JOUR
T1 - Pseudorotating hydride complexes with high hydrogen coordination
T2 - A class of rotatable polyanions in solid matter
AU - Takagi, Shigeyuki
AU - Ikeshoji, Tamio
AU - Sato, Toyoto
AU - Orimo, Shin Ichi
N1 - Funding Information:
We are grateful for the use of the supercomputing resources (MASAMUNE-IMR) at the Center for Computational Materials Science of the Institute for Materials Research, Tohoku University. This research was supported by JSPS KAKENHI Grant Nos. JP16H06119, JP16K06766, JP17K18972, JP17K19168, JP18H05513, and JP19H05514.
Publisher Copyright:
© 2020 Author(s).
PY - 2020/4/27
Y1 - 2020/4/27
N2 - Solid-state materials containing rotatable polyanions, such as B12 H122-, constitute a peculiar class of ionic conductors due to their unique transport behavior, where rotating polyanions promote phase transitions to disordered phases with several orders of magnitude enhancement in cation conductivities. A major drawback is the high temperature required to activate rotation and thereby low conductivities at room temperature. Here, we elucidate a mechanism to drastically reduce the temperature based on the use of pseudorotation in high-H coordination hydride complexes. We demonstrate this mechanism for an existing complex transition metal hydride Li5MoH11 containing MoH93-, and we present a strong potential of this material to unprecedentedly exhibit a high lithium ion conductivity of 7.9 × 10-2 S cm-1 at room temperature.
AB - Solid-state materials containing rotatable polyanions, such as B12 H122-, constitute a peculiar class of ionic conductors due to their unique transport behavior, where rotating polyanions promote phase transitions to disordered phases with several orders of magnitude enhancement in cation conductivities. A major drawback is the high temperature required to activate rotation and thereby low conductivities at room temperature. Here, we elucidate a mechanism to drastically reduce the temperature based on the use of pseudorotation in high-H coordination hydride complexes. We demonstrate this mechanism for an existing complex transition metal hydride Li5MoH11 containing MoH93-, and we present a strong potential of this material to unprecedentedly exhibit a high lithium ion conductivity of 7.9 × 10-2 S cm-1 at room temperature.
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U2 - 10.1063/5.0002992
DO - 10.1063/5.0002992
M3 - Article
AN - SCOPUS:85092345381
SN - 0003-6951
VL - 116
JO - Applied Physics Letters
JF - Applied Physics Letters
IS - 17
M1 - 173901
ER -