Investigation of the dynamics in KSiH 3 and new bi-anionic K(SiH 3 ) 1− x (BH 4 ) x complex hydrides by MAS-NMR spectroscopy
Abstract
Bi-anionic K(SiH3)(1-x)(BH4)(x) compounds were synthesized for the first time by ball-milling from mixtures of KBH4 and KSiH3, followed by annealing at 200 degrees C under H-2. A full solid-solution following Vegard's law was found in the binary KSiH3-KBH4 phase diagram with all compounds crystallizing in the cubic structure with the Fm (3) over barm space group. In-depth MAS-NMR spectroscopy characterization studies were carried out, confirming undoubtedly that the two types of anions coexist in the same phase. Interestingly, the progressive introduction of [BH4](-) in the KSiH3 compound led to an evolution from the very fast orientationally diffusive rotation of [SiH3]- units to a more strongly restricted motion. Upon thermal treatment, the K(SiH3)(1-x)(BH4)(x) compounds desorbed only hydrogen atoms from the [SiH3](-) anion around 180 degrees C, which limits their potential use for hydrogen storage. Further studies on the combination of the [SiH3](-) anion with other hydrogen-containing polyanions could allow the design of new complex hydrides for hydrogen storage.
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BibTeX
@article{bernard2026investigation,
title = {{Investigation of the dynamics in KSiH 3 and new bi-anionic K(SiH 3 ) 1− x (BH 4 ) x complex hydrides by MAS-NMR spectroscopy}},
author = {Alexandre Bernard and Hanyu Hu and Matthias Jollain and Thibault Charpentier and Fermin Cuevas and Romain Moury and Raphaël Janot},
journal = {Journal of Materials Chemistry A},
year = {2026},
month = may,
doi = {10.1039/d6ta01955b},
url = {https://hal.science/hal-05679675v1},
note = {CC BY 4.0},
}
RIS
TY - JOUR
TI - Investigation of the dynamics in KSiH 3 and new bi-anionic K(SiH 3 ) 1− x (BH 4 ) x complex hydrides by MAS-NMR spectroscopy
AU - Alexandre Bernard
AU - Hanyu Hu
AU - Matthias Jollain
AU - Thibault Charpentier
AU - Fermin Cuevas
AU - Romain Moury
AU - Raphaël Janot
PY - 2026
DA - 2026/05/19
JO - Journal of Materials Chemistry A
DO - 10.1039/d6ta01955b
UR - https://hal.science/hal-05679675v1
AB - Bi-anionic K(SiH3)(1-x)(BH4)(x) compounds were synthesized for the first time by ball-milling from mixtures of KBH4 and KSiH3, followed by annealing at 200 degrees C under H-2. A full solid-solution following Vegard's law was found in the binary KSiH3-KBH4 phase diagram with all compounds crystallizing in the cubic structure with the Fm (3) over barm space group. In-depth MAS-NMR spectroscopy characterization studies were carried out, confirming undoubtedly that the two types of anions coexist in the same phase. Interestingly, the progressive introduction of [BH4](-) in the KSiH3 compound led to an evolution from the very fast orientationally diffusive rotation of [SiH3]- units to a more strongly restricted motion. Upon thermal treatment, the K(SiH3)(1-x)(BH4)(x) compounds desorbed only hydrogen atoms from the [SiH3](-) anion around 180 degrees C, which limits their potential use for hydrogen storage. Further studies on the combination of the [SiH3](-) anion with other hydrogen-containing polyanions could allow the design of new complex hydrides for hydrogen storage.
SN - 2050-7488
SN - 2050-7496
ER -