Probing the local symmetry of Tb3+ in borohydrides using luminescence spectroscopy

Publikation: Bidrag til tidsskrift/Konferencebidrag i tidsskrift /Bidrag til avisTidsskriftartikelForskningpeer review

Standard

Probing the local symmetry of Tb3+ in borohydrides using luminescence spectroscopy. / Christmann, Julien; Mansouri, Asma; Grinderslev, Jakob B.; Jensen, Torben R.; Hagemann, Hans.

I: Journal of Luminescence, Bind 221, 117065, 05.2020.

Publikation: Bidrag til tidsskrift/Konferencebidrag i tidsskrift /Bidrag til avisTidsskriftartikelForskningpeer review

Harvard

APA

CBE

MLA

Vancouver

Author

Christmann, Julien ; Mansouri, Asma ; Grinderslev, Jakob B. ; Jensen, Torben R. ; Hagemann, Hans. / Probing the local symmetry of Tb3+ in borohydrides using luminescence spectroscopy. I: Journal of Luminescence. 2020 ; Bind 221.

Bibtex

@article{55940d01cbd2462db69566ab98f07b4f,
title = "Probing the local symmetry of Tb3+ in borohydrides using luminescence spectroscopy",
abstract = "Rare-earth borohydrides have recently attracted a strong interest as potential hydrogen storage materials. While the local structure of the BH4 − ion can be probed using vibrational spectroscopy, the local structure of the rare-earth ion can be studied using luminescence spectroscopy. This is reported here for Tb(BH4)3 and its solvate with S(CH3)2. The spectra clearly show smaller CF splittings for the unsolvated compound. These experimental data are compared with recent DFT+U calculations of the energy levels and CF splittings for Tb(BH4)3 and show that these calculations significantly overestimate the experimental results.",
keywords = "Crystal field, Local symmetry, Rare-earth borohydride, Tb(BH), Tb(BH)·S(CH)",
author = "Julien Christmann and Asma Mansouri and Grinderslev, {Jakob B.} and Jensen, {Torben R.} and Hans Hagemann",
year = "2020",
month = may,
doi = "10.1016/j.jlumin.2020.117065",
language = "English",
volume = "221",
journal = "Journal of Luminescence",
issn = "0022-2313",
publisher = "Elsevier BV * North-Holland",

}

RIS

TY - JOUR

T1 - Probing the local symmetry of Tb3+ in borohydrides using luminescence spectroscopy

AU - Christmann, Julien

AU - Mansouri, Asma

AU - Grinderslev, Jakob B.

AU - Jensen, Torben R.

AU - Hagemann, Hans

PY - 2020/5

Y1 - 2020/5

N2 - Rare-earth borohydrides have recently attracted a strong interest as potential hydrogen storage materials. While the local structure of the BH4 − ion can be probed using vibrational spectroscopy, the local structure of the rare-earth ion can be studied using luminescence spectroscopy. This is reported here for Tb(BH4)3 and its solvate with S(CH3)2. The spectra clearly show smaller CF splittings for the unsolvated compound. These experimental data are compared with recent DFT+U calculations of the energy levels and CF splittings for Tb(BH4)3 and show that these calculations significantly overestimate the experimental results.

AB - Rare-earth borohydrides have recently attracted a strong interest as potential hydrogen storage materials. While the local structure of the BH4 − ion can be probed using vibrational spectroscopy, the local structure of the rare-earth ion can be studied using luminescence spectroscopy. This is reported here for Tb(BH4)3 and its solvate with S(CH3)2. The spectra clearly show smaller CF splittings for the unsolvated compound. These experimental data are compared with recent DFT+U calculations of the energy levels and CF splittings for Tb(BH4)3 and show that these calculations significantly overestimate the experimental results.

KW - Crystal field

KW - Local symmetry

KW - Rare-earth borohydride

KW - Tb(BH)

KW - Tb(BH)·S(CH)

UR - http://www.scopus.com/inward/record.url?scp=85078657085&partnerID=8YFLogxK

U2 - 10.1016/j.jlumin.2020.117065

DO - 10.1016/j.jlumin.2020.117065

M3 - Journal article

AN - SCOPUS:85078657085

VL - 221

JO - Journal of Luminescence

JF - Journal of Luminescence

SN - 0022-2313

M1 - 117065

ER -