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Interplay between the Reorientational Dynamics of the B3H8-Anion and the Structure in KB3H8

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Interplay between the Reorientational Dynamics of the B3H8-Anion and the Structure in KB3H8. / Andersson, M. S.; Grinderslev, J. B.; Chen, X.M. ; Chen, X.; Haussermann, U.; Zhou, W.; Jensen, T. R.; Karlsson, M.; Udovic, T. J.

In: Journal of Physical Chemistry C, Vol. 125, No. 7, 02.2021, p. 3716-3724.

Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

Harvard

Andersson, MS, Grinderslev, JB, Chen, XM, Chen, X, Haussermann, U, Zhou, W, Jensen, TR, Karlsson, M & Udovic, TJ 2021, 'Interplay between the Reorientational Dynamics of the B3H8-Anion and the Structure in KB3H8', Journal of Physical Chemistry C, vol. 125, no. 7, pp. 3716-3724. https://doi.org/10.1021/acs.jpcc.0c10186

APA

Andersson, M. S., Grinderslev, J. B., Chen, X. M., Chen, X., Haussermann, U., Zhou, W., Jensen, T. R., Karlsson, M., & Udovic, T. J. (2021). Interplay between the Reorientational Dynamics of the B3H8-Anion and the Structure in KB3H8. Journal of Physical Chemistry C, 125(7), 3716-3724. https://doi.org/10.1021/acs.jpcc.0c10186

CBE

Andersson MS, Grinderslev JB, Chen XM, Chen X, Haussermann U, Zhou W, Jensen TR, Karlsson M, Udovic TJ. 2021. Interplay between the Reorientational Dynamics of the B3H8-Anion and the Structure in KB3H8. Journal of Physical Chemistry C. 125(7):3716-3724. https://doi.org/10.1021/acs.jpcc.0c10186

MLA

Vancouver

Andersson MS, Grinderslev JB, Chen XM, Chen X, Haussermann U, Zhou W et al. Interplay between the Reorientational Dynamics of the B3H8-Anion and the Structure in KB3H8. Journal of Physical Chemistry C. 2021 Feb;125(7):3716-3724. https://doi.org/10.1021/acs.jpcc.0c10186

Author

Andersson, M. S. ; Grinderslev, J. B. ; Chen, X.M. ; Chen, X. ; Haussermann, U. ; Zhou, W. ; Jensen, T. R. ; Karlsson, M. ; Udovic, T. J. / Interplay between the Reorientational Dynamics of the B3H8-Anion and the Structure in KB3H8. In: Journal of Physical Chemistry C. 2021 ; Vol. 125, No. 7. pp. 3716-3724.

Bibtex

@article{4a72a6f9a9b14e7da0c79a36013fef22,
title = "Interplay between the Reorientational Dynamics of the B3H8-Anion and the Structure in KB3H8",
abstract = "The structure and reorientational dynamics of KB3H8 were studied by using quasielastic and inelastic neutron scattering, Raman spectroscopy, first-principles calculations, differential scanning calorimetry, and in situ synchrotron radiation powder Xray diffraction. The results reveal the existence of a previously unknown polymorph in between the -and -polymorphs. Furthermore, it was found that the [B3H8] anion undergoes different reorientational motions in the three polymorphs , , and . In -KB3H8, the [B3H8] anion performs 3-fold rotations in the plane created by the three boron atoms, which changes to a 2-fold rotation around the C2 symmetry axis of the [B3H8] anion upon transitioning to -KB3H8. After transitioning to -KB3H8, the [B3H8] anion performs 4-fold rotations in the plane created by the three boron atoms, which indicates that the local structure of -KB3H8 deviates from the global cubic NaCl-Type structure. The results also indicate that the high reorientational mobility of the [B3H8] anion facilitates the K+ cation conductivity, since the 2-orders-of-magnitude increase in the anion reorientational mobility observed between 297 and 311 K coincides with a large increase in K+ conductivity.",
author = "Andersson, {M. S.} and Grinderslev, {J. B.} and X.M. Chen and X. Chen and U. Haussermann and W. Zhou and Jensen, {T. R.} and M. Karlsson and Udovic, {T. J.}",
note = "Publisher Copyright: {\textcopyright} 2021 American Chemical Society. All rights reserved.",
year = "2021",
month = feb,
doi = "10.1021/acs.jpcc.0c10186",
language = "English",
volume = "125",
pages = "3716--3724",
journal = "The Journal of Physical Chemistry Part C",
issn = "1932-7447",
publisher = "American Chemical Society",
number = "7",

}

RIS

TY - JOUR

T1 - Interplay between the Reorientational Dynamics of the B3H8-Anion and the Structure in KB3H8

AU - Andersson, M. S.

AU - Grinderslev, J. B.

AU - Chen, X.M.

AU - Chen, X.

AU - Haussermann, U.

AU - Zhou, W.

AU - Jensen, T. R.

AU - Karlsson, M.

AU - Udovic, T. J.

N1 - Publisher Copyright: © 2021 American Chemical Society. All rights reserved.

PY - 2021/2

Y1 - 2021/2

N2 - The structure and reorientational dynamics of KB3H8 were studied by using quasielastic and inelastic neutron scattering, Raman spectroscopy, first-principles calculations, differential scanning calorimetry, and in situ synchrotron radiation powder Xray diffraction. The results reveal the existence of a previously unknown polymorph in between the -and -polymorphs. Furthermore, it was found that the [B3H8] anion undergoes different reorientational motions in the three polymorphs , , and . In -KB3H8, the [B3H8] anion performs 3-fold rotations in the plane created by the three boron atoms, which changes to a 2-fold rotation around the C2 symmetry axis of the [B3H8] anion upon transitioning to -KB3H8. After transitioning to -KB3H8, the [B3H8] anion performs 4-fold rotations in the plane created by the three boron atoms, which indicates that the local structure of -KB3H8 deviates from the global cubic NaCl-Type structure. The results also indicate that the high reorientational mobility of the [B3H8] anion facilitates the K+ cation conductivity, since the 2-orders-of-magnitude increase in the anion reorientational mobility observed between 297 and 311 K coincides with a large increase in K+ conductivity.

AB - The structure and reorientational dynamics of KB3H8 were studied by using quasielastic and inelastic neutron scattering, Raman spectroscopy, first-principles calculations, differential scanning calorimetry, and in situ synchrotron radiation powder Xray diffraction. The results reveal the existence of a previously unknown polymorph in between the -and -polymorphs. Furthermore, it was found that the [B3H8] anion undergoes different reorientational motions in the three polymorphs , , and . In -KB3H8, the [B3H8] anion performs 3-fold rotations in the plane created by the three boron atoms, which changes to a 2-fold rotation around the C2 symmetry axis of the [B3H8] anion upon transitioning to -KB3H8. After transitioning to -KB3H8, the [B3H8] anion performs 4-fold rotations in the plane created by the three boron atoms, which indicates that the local structure of -KB3H8 deviates from the global cubic NaCl-Type structure. The results also indicate that the high reorientational mobility of the [B3H8] anion facilitates the K+ cation conductivity, since the 2-orders-of-magnitude increase in the anion reorientational mobility observed between 297 and 311 K coincides with a large increase in K+ conductivity.

UR - http://www.scopus.com/inward/record.url?scp=85101796565&partnerID=8YFLogxK

U2 - 10.1021/acs.jpcc.0c10186

DO - 10.1021/acs.jpcc.0c10186

M3 - Journal article

C2 - 33841604

AN - SCOPUS:85101796565

VL - 125

SP - 3716

EP - 3724

JO - The Journal of Physical Chemistry Part C

JF - The Journal of Physical Chemistry Part C

SN - 1932-7447

IS - 7

ER -