Synthesis, Structure, and Li-Ion Conductivity of LiLa(BH4)3X, X = Cl, Br, I

SeyedHosein Payandeh GharibDoust; Matteo Brighi; Yolanda Sadikin; Dorthe Ravnsbæk; Radovan Cerný; Jørgen Skibsted; Torben René Jensen

doi:10.1021/acs.jpcc.7b04905

Synthesis, Structure, and Li-Ion Conductivity of LiLa(BH₄)₃X, X = Cl, Br, I

SeyedHosein Payandeh GharibDoust, Matteo Brighi, Yolanda Sadikin, Dorthe Ravnsbæk, Radovan Cerný, Jørgen Skibsted, Torben René Jensen

Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

33 Citations (Scopus)

Abstract

In this work, a new type of addition reaction between La(BH ₄) ₃ and LiX, X = Cl, Br, I, is used to synthesize LiLa(BH ₄) ₃Cl and two new compounds LiLa(BH ₄) ₃X, X = Br, I. This method increases the amounts of LiLa(BH ₄) ₃X and the sample purity. The highest Li-ion conductivity is observed for LiLa(BH ₄) ₃Br, 7.74 × 10 ^-5 S/cm at room temperature (RT) and 1.8 × 10 ^-3 S/cm at 140°C with an activation energy of 0.272 eV. Topological analysis suggests a new lithium ion conduction pathway with two new different types of bottleneck windows. The sizes of these windows reveal an opposite size change with increasing lattice parameter, that is, increasing size of the halide ion in the structure. Thus, we conclude that the sizes of both windows are important for the lithium ion conduction in LiLa(BH ₄) ₃X compounds. The lithium ion conductivity is measured over one to three heating cycles and with different contacts (gold or carbon) between the electrodes and the electrolyte. Moreover, ¹¹B MAS NMR is used to verify the contents of the samples, whereas thermogravimetric analysis shows 4.8 and 3.6 wt % of hydrogen release for LiLa(BH ₄) ₃Cl and LiLa(BH ₄) ₃Br in the temperature range RT to 400°C. (Graph Presented).

Original language	English
Journal	Journal of Physical Chemistry C
Volume	121
Issue	35
Pages (from-to)	19010-19021
Number of pages	12
ISSN	1932-7447
DOIs	https://doi.org/10.1021/acs.jpcc.7b04905
Publication status	Published - 7 Sept 2017

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title = "Synthesis, Structure, and Li-Ion Conductivity of LiLa(BH4)3X, X = Cl, Br, I",

abstract = "In this work, a new type of addition reaction between La(BH 4) 3 and LiX, X = Cl, Br, I, is used to synthesize LiLa(BH 4) 3Cl and two new compounds LiLa(BH 4) 3X, X = Br, I. This method increases the amounts of LiLa(BH 4) 3X and the sample purity. The highest Li-ion conductivity is observed for LiLa(BH 4) 3Br, 7.74 × 10 -5 S/cm at room temperature (RT) and 1.8 × 10 -3 S/cm at 140°C with an activation energy of 0.272 eV. Topological analysis suggests a new lithium ion conduction pathway with two new different types of bottleneck windows. The sizes of these windows reveal an opposite size change with increasing lattice parameter, that is, increasing size of the halide ion in the structure. Thus, we conclude that the sizes of both windows are important for the lithium ion conduction in LiLa(BH 4) 3X compounds. The lithium ion conductivity is measured over one to three heating cycles and with different contacts (gold or carbon) between the electrodes and the electrolyte. Moreover, 11B MAS NMR is used to verify the contents of the samples, whereas thermogravimetric analysis shows 4.8 and 3.6 wt % of hydrogen release for LiLa(BH 4) 3Cl and LiLa(BH 4) 3Br in the temperature range RT to 400°C. (Graph Presented).",

author = "{Payandeh GharibDoust}, SeyedHosein and Matteo Brighi and Yolanda Sadikin and Dorthe Ravnsb{\ae}k and Radovan Cern{\'y} and J{\o}rgen Skibsted and Jensen, {Torben Ren{\'e}}",

year = "2017",

month = sep,

day = "7",

doi = "10.1021/acs.jpcc.7b04905",

language = "English",

volume = "121",

pages = "19010--19021",

journal = "Journal of Physical Chemistry C",

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Synthesis, Structure, and Li-Ion Conductivity of LiLa(BH₄)₃X, X = Cl, Br, I. / Payandeh GharibDoust, SeyedHosein; Brighi, Matteo; Sadikin, Yolanda et al.
In: Journal of Physical Chemistry C, Vol. 121, No. 35, 07.09.2017, p. 19010-19021.

Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review

TY - JOUR

T1 - Synthesis, Structure, and Li-Ion Conductivity of LiLa(BH4)3X, X = Cl, Br, I

AU - Payandeh GharibDoust, SeyedHosein

AU - Brighi, Matteo

AU - Sadikin, Yolanda

AU - Ravnsbæk, Dorthe

AU - Cerný, Radovan

AU - Skibsted, Jørgen

AU - Jensen, Torben René

PY - 2017/9/7

Y1 - 2017/9/7

N2 - In this work, a new type of addition reaction between La(BH 4) 3 and LiX, X = Cl, Br, I, is used to synthesize LiLa(BH 4) 3Cl and two new compounds LiLa(BH 4) 3X, X = Br, I. This method increases the amounts of LiLa(BH 4) 3X and the sample purity. The highest Li-ion conductivity is observed for LiLa(BH 4) 3Br, 7.74 × 10 -5 S/cm at room temperature (RT) and 1.8 × 10 -3 S/cm at 140°C with an activation energy of 0.272 eV. Topological analysis suggests a new lithium ion conduction pathway with two new different types of bottleneck windows. The sizes of these windows reveal an opposite size change with increasing lattice parameter, that is, increasing size of the halide ion in the structure. Thus, we conclude that the sizes of both windows are important for the lithium ion conduction in LiLa(BH 4) 3X compounds. The lithium ion conductivity is measured over one to three heating cycles and with different contacts (gold or carbon) between the electrodes and the electrolyte. Moreover, 11B MAS NMR is used to verify the contents of the samples, whereas thermogravimetric analysis shows 4.8 and 3.6 wt % of hydrogen release for LiLa(BH 4) 3Cl and LiLa(BH 4) 3Br in the temperature range RT to 400°C. (Graph Presented).

AB - In this work, a new type of addition reaction between La(BH 4) 3 and LiX, X = Cl, Br, I, is used to synthesize LiLa(BH 4) 3Cl and two new compounds LiLa(BH 4) 3X, X = Br, I. This method increases the amounts of LiLa(BH 4) 3X and the sample purity. The highest Li-ion conductivity is observed for LiLa(BH 4) 3Br, 7.74 × 10 -5 S/cm at room temperature (RT) and 1.8 × 10 -3 S/cm at 140°C with an activation energy of 0.272 eV. Topological analysis suggests a new lithium ion conduction pathway with two new different types of bottleneck windows. The sizes of these windows reveal an opposite size change with increasing lattice parameter, that is, increasing size of the halide ion in the structure. Thus, we conclude that the sizes of both windows are important for the lithium ion conduction in LiLa(BH 4) 3X compounds. The lithium ion conductivity is measured over one to three heating cycles and with different contacts (gold or carbon) between the electrodes and the electrolyte. Moreover, 11B MAS NMR is used to verify the contents of the samples, whereas thermogravimetric analysis shows 4.8 and 3.6 wt % of hydrogen release for LiLa(BH 4) 3Cl and LiLa(BH 4) 3Br in the temperature range RT to 400°C. (Graph Presented).

UR - http://www.scopus.com/inward/record.url?scp=85029211311&partnerID=8YFLogxK

U2 - 10.1021/acs.jpcc.7b04905

DO - 10.1021/acs.jpcc.7b04905

M3 - Journal article

SN - 1932-7447

VL - 121

SP - 19010

EP - 19021

JO - Journal of Physical Chemistry C

JF - Journal of Physical Chemistry C

IS - 35

ER -

Synthesis, Structure, and Li-Ion Conductivity of LiLa(BH₄)₃X, X = Cl, Br, I

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