Ionic conductivity of melt-frozen LiBH<sub>4</sub> films

Trück, Janina; Hadjixenophontos, Efi; Joshi, Yug; Richter, Gunther; Stender, Patrick; Schmitz, Guido

doi:10.1039/c9ra06821j

Cited by 8 publications

(6 citation statements)

References 14 publications

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“…The peaks at 190.52 and 187.45 eV should represent the B-N bond of BN or BH bond of LiBH 4 , respectively. While the peaks at higher binding energy(191.18 eV in d-BN and 192.18 eV in LiBH 4 )are associated with the BO bond, [46,47] which should originate from the oxidization of LiBH 4 and BN on the surface due to the brief exposure to air before the XPS tests. Similarly, the N 1s peak (398.60 eV) in Figure 1d may result from the NO bond on the surface of BN due to the brief exposure to air, [48] while the peak at 398.02 eV belongs to B-N of BN.…”

Section: Resultsmentioning

confidence: 99%

Defective Boron Nitride Inducing the Lithium‐ion Migration on the Sub‐Surface of LiBH₄

Wang

Sun

et al. 2022

Adv Funct Materials

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The safety issues oflithium-ion batteries provoke the development of highly secure solidelectrolytes. Hydride electrolytes owning the high electrochemical stabilityand anode compatibility may sufficiently relieve theconcerns of safety. However, the low ionic conductivity at room temperature hampersits further application. Herein, the strategy of defect-induced (BH 4 )deformation to achieve high ionicconductivity LiBH 4 /BN composite electrolyte is suggested. The theoreticalcalculations indicate that the volume of the (BH 4 )tetrahedron is expanded by 14%. Such atetrahedron deformation weakens the LiH interaction forces in LiBH 4 , and thus promotes the Li-ion migration. The LiBH 4 /BN composites are enabled to deliver lithium ionicconductivity of 1.15 × 10 -4 S cm -1 at 40 °C with a Li-ion transference number of 97%, persuading an excellent solidelectrolyte for all-solid-state batteries. The subsurface of LiBH 4 offers the lowest migration barrier among all possiblechannels, paving the optimal way for Li-ion migration. Furthermore, the LiBH 4 /BN electrolytes supply excellent electrochemical stabilityand electrode compatibility. The utilized strategy of outfield induction (notonly defects) and ligand deformation (not only (BH 4 ) -) may also be extended to other solid electrolytes.

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Section: Resultsmentioning

confidence: 99%

Defective Boron Nitride Inducing the Lithium‐ion Migration on the Sub‐Surface of LiBH₄

Wang

Sun

et al. 2022

Adv Funct Materials

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“…In fact, prior to using lithium borohydride commercially, one should be confident enough and certain that this material has been explored/studied in all possible aspects. In this regard, a comprehensive study about ionic conductivity of melt‐frozen lithium borohydride was presented by Trück et al, [ 16 ] which affirms that its reversible phase transitions improved the maximum conductivity to 10 3 S cm −1 . In addition, the studied material is equally suitable to engineer the solid‐state batteries.…”

Section: Introductionmentioning

confidence: 99%

Structural, vibrational, mechanical, and optoelectronic properties of LiBH₄ for hydrogen storage and optoelectronic devices: First‐principles study

Khalil

Hussain

et al. 2020

Int J of Quantum Chemistry

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In order to cope with the energy crisis and global warming issues, researchers are rendering their efforts and paying attention to analyzing and fabricating hydrogen storage devices. That is why comprehensive investigations are made to unfold the structural, vibrational, mechanical, and optoelectronic properties of lithium borohydride (LiBH4), a hydrogen storage material. For this purpose, calculations of the structural properties were performed using local, nonlocal, and hybrid functionals within the framework of density functional theory. For the determination of lattice constants in the orthorhombic phase, local density approximation (LDA), Perdew‐Burke‐Ernzerhof (PBE), and Heyd‐Scuseria‐Ernzerhof (HSE06) density functionals were chosen, and their results were compared with available experimental and theoretical studies. In order to determine infrared (IR) and Raman active modes of vibrations, vibrational spectroscopy was utilized through density functional perturbation theory. Li, B, and H atoms are noted to contribute in different modes of vibrations among various ranges of frequencies, that is, 0 to 400 cm−1, 1100 to 1300 cm−1, and 2250 to 2400 cm−1. Values of the energy band gap are found to be 6.35, 6.81, and 7.58 eV for LDA, PBE, and HSE06 functionals, respectively, indicating the insulating nature of LiBH4. Such fascinating properties make these compounds promising candidates for future applications in optoelectronic devices. Mechanical analysis revealed that LiBH4 is a brittle and stiffer material. Other optical properties, such as dielectric constant, refractive index, reflectivity, absorptivity, conductivity, and loss function, were also calculated with the assistance of the well‐recognized Kramer‐Kronig relation. The energy loss function depicted a plasma frequency of 13.7 eV, noted from the highest loss peak. It can be concluded that this material is not only suitable for hydrogen storage but also for optoelectronic devices.

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“…More information about the interaction between P1 and LBN could be obtained from XPS spectra, as shown in Figure g. The B 1s XPS spectrum of the pristine LBN consists of the B–H bond at 188 eV as the major component and the B–O bond at 191 eV as the minor component. , The former is attributed to the inherent anion of [BH 4 ] − and the latter to the weak interaction between LBN and Li 2 O, respectively. With the increase of the amount of P1, the contribution of B–H bonds becomes smaller and that of B–O bonds becomes larger, indicating the increased interfacial interaction between LBN and P1.…”

Section: Resultsmentioning

confidence: 99%

Size Effect of MgO on the Ionic Conduction Properties of a LiBH₄·1/2NH₃–MgO Nanocomposite

Zhang

Wang

et al. 2022

ACS Appl. Mater. Interfaces

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A solid-state electrolyte (SSE) is the core component for fabricating solid-state batteries competitive with the currently commercial Li-ion batteries. In the present study, a LiBH 4 •1/2NH 3 −MgO nanocomposite has been developed as a fast Li-ion conductor. The conductive properties depend strongly on the size of MgO nanopowders. By adding MgO nanoparticles, the first-order transition at 55 °C observed in the crystalline LiBH 4 •1/2NH 3 is suppressed due to the conversion of LiBH 4 •1/2NH 3 into the amorphous state. When the size of MgO decreases from 163.6 to 13.9 nm, the MgO amount required for the phase-transition suppression of LiBH 4 •1/2NH 3 decreases linearly from 92 to 75 wt %, accompanied by a significant enhancement of ionic conductivity. The optimized nanocomposite with 75 wt % MgO of size 13.9 nm exhibits a pronouncedly high conductivity of 4.0 × 10 −3 S cm −1 at room temperature, which is 20 times higher than that of the crystalline LiBH 4 •1/2NH 3 . Furthermore, a smaller size MgO contributes to a higher electrochemical stability window (ESW) owing to the stronger interfacial interaction via B−O bonds, i.e., an ESW of 4.0 V is achieved with the addition of 75 wt % MgO of size 13.9 nm.

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Ionic conductivity of melt-frozen LiBH₄ films

Abstract: LiBH4 melt-frozen film as solid state electrolyte.

Cited by 8 publications

References 14 publications

Defective Boron Nitride Inducing the Lithium‐ion Migration on the Sub‐Surface of LiBH₄

Defective Boron Nitride Inducing the Lithium‐ion Migration on the Sub‐Surface of LiBH₄

Structural, vibrational, mechanical, and optoelectronic properties of LiBH₄ for hydrogen storage and optoelectronic devices: First‐principles study

Size Effect of MgO on the Ionic Conduction Properties of a LiBH₄·1/2NH₃–MgO Nanocomposite

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Ionic conductivity of melt-frozen LiBH4 films

Abstract: LiBH4 melt-frozen film as solid state electrolyte.

Cited by 8 publications

References 14 publications

Defective Boron Nitride Inducing the Lithium‐ion Migration on the Sub‐Surface of LiBH4

Defective Boron Nitride Inducing the Lithium‐ion Migration on the Sub‐Surface of LiBH4

Structural, vibrational, mechanical, and optoelectronic properties of LiBH4 for hydrogen storage and optoelectronic devices: First‐principles study

Size Effect of MgO on the Ionic Conduction Properties of a LiBH4·1/2NH3–MgO Nanocomposite

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Ionic conductivity of melt-frozen LiBH₄ films

Defective Boron Nitride Inducing the Lithium‐ion Migration on the Sub‐Surface of LiBH₄

Defective Boron Nitride Inducing the Lithium‐ion Migration on the Sub‐Surface of LiBH₄

Structural, vibrational, mechanical, and optoelectronic properties of LiBH₄ for hydrogen storage and optoelectronic devices: First‐principles study

Size Effect of MgO on the Ionic Conduction Properties of a LiBH₄·1/2NH₃–MgO Nanocomposite