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• W2296256042 endingPage "6376" @default.
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• W2296256042 abstract "The two alkali silanides ASiH3 (A = K and Rb) were investigated by means of quasielastic neutron scattering, both below and above the order–disorder phase transition occurring at around 275–300 K. Measurements upon heating show that there is a large change in the dynamics on going through the phase transition, whereas measurements upon cooling reveal a strong hysteresis due to undercooling of the disordered phase. The results show that the dynamics is associated with rotational diffusion of SiH3– anions, adequately modeled by H-jumps among 24 different jump locations radially distributed around the Si atom. The average relaxation time between successive jumps is of the order of subpicoseconds and exhibits a weak temperature dependence with a small difference in activation energy between the two materials, 39(1) meV for KSiH3 and 33(1) meV for RbSiH3. The pronounced SiH3– dynamics explains the high entropy observed in the disordered phase resulting in the low entropy variation for hydrogen absorption/desorption and hence the origin of these materials’ favorable hydrogen storage properties." @default.
• W2296256042 created "2016-06-24" @default.
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• W2296256042 date "2016-03-18" @default.
• W2296256042 modified "2023-09-25" @default.
• W2296256042 title "Dynamics of Pyramidal SiH₃^– Ions in ASiH₃ (A = K and Rb) Investigated with Quasielastic Neutron Scattering" @default.
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• W2296256042 doi "https://doi.org/10.1021/acs.jpcc.6b00363" @default.
• W2296256042 hasPublicationYear "2016" @default.
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