Magnesium borohydride pyridine derivatives as electrolytes for all-solid-state batteries†

IF 9.5 2区材料科学 Q1 CHEMISTRY, PHYSICAL Journal of Materials Chemistry A Pub Date : 2025-04-10 DOI:10.1039/D5TA00239G

Jakob B. Grinderslev and Torben R. Jensen

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Abstract

All-solid-state batteries based on abundant elements may pave the way for safer and cheaper energy storage. Magnesium borohydride derivatives with neutral ligands are a new emerging class of solid-state Mg²⁺ ionic conductors, and here we report the discovery of two new pyridine derivatives, Mg(BH₄)₂·xN(CH)₅ (x = 2 or 3). Magnesium tetrahydridoborate tripyridine, Mg(BH₄)₂·3N(CH)₅, crystallizes in the monoclinic space group C2/c and is built from molecular units consisting of trigonal bipyramidal [Mg(N(CH)₅)₃(BH₄)₂] complexes, where the pyridine molecules are packed efficiently as a result of π–π stacking. Magnesium tetrahydridoborate dipyridine, Mg(BH₄)₂·2N(CH)₅, crystallizes in the monoclinic space group C2/c and is built from tetrahedral [Mg(N(CH)₅)₂(BH₄)₂] complexes. The highest ionic conductivity is observed for Mg(BH₄)₂·3N(CH)₅ with σ(Mg²⁺) = 7.2 × 10⁻⁵ S cm⁻¹ at 24 °C, increasing to (Mg²⁺) = 1.4 × 10⁻⁴ S cm⁻¹ at 49 °C. The low activation energy of 0.25 eV shows promise for low temperature conductivity. A low electronic conductivity of σ_e = 2.5 × 10⁻¹⁰ S cm⁻¹ was determined for Mg(BH₄)₂·3N(CH)₅ at 24 °C, providing a high ionic transport number of t_ion = 0.999997.

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硼氢化镁吡啶衍生物作为全固态电池的固体电解质

基于丰富元素的全固态电池可能为更安全、更廉价的能源储存铺平道路。具有中性配体的硼氢化镁衍生物是一类新兴的固态 Mg2+ 离子导体，我们在此报告发现了两种新的吡啶衍生物 Mg(BH4)2∙xN(CH)5 (x = 2 或 3)。四氢硼酸三吡啶镁（Mg(BH4)2∙3N(CH)5）在单斜空间群 C2/c 中结晶，由三叉双锥[Mg(N(CH)5)3(BH4)2]复合物组成的分子单元构成，其中的吡啶分子因 π-π 堆积而有效地堆积在一起。四氢硼酸二吡啶镁（Mg(BH4)2∙2N(CH)5）在单斜空间群 Cc 中结晶，由四面体[Mg(N(CH)5)2(BH4)2]配合物形成。在 24 °C 时，Mg(BH4)2∙3N(CH)5 的离子电导率最高，σ(Mg2+) = 7.2∙10-5 S∙cm-1, 在 49 °C 时，(Mg2+) = 1.4∙10-4 S∙cm-1 。0.25 eV 的低活化能显示了低温导电性的前景。在 24 °C时，Mg(BH4)2∙3N(CH)5 的低电子电导率为 σe = 2.5∙10-10 S cm-1，离子传输数为 0.999997。

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来源期刊

Journal of Materials Chemistry A CHEMISTRY, PHYSICAL-ENERGY & FUELS

CiteScore

19.50

自引率

5.00%

发文量

1892

审稿时长

1.5 months

期刊介绍： The Journal of Materials Chemistry A, B & C covers a wide range of high-quality studies in the field of materials chemistry, with each section focusing on specific applications of the materials studied. Journal of Materials Chemistry A emphasizes applications in energy and sustainability, including topics such as artificial photosynthesis, batteries, and fuel cells. Journal of Materials Chemistry B focuses on applications in biology and medicine, while Journal of Materials Chemistry C covers applications in optical, magnetic, and electronic devices. Example topic areas within the scope of Journal of Materials Chemistry A include catalysis, green/sustainable materials, sensors, and water treatment, among others.