Investigating the Potential of Alkali Metal Plumba-closo-Dodecaborate (B11H11Pb2–) Salts as Solid-State Battery Electrolytes
Metal dodecaborate salts have been identified as a new class of ion conductors that are highly tunable. A [B-H] unit within the dodecaborate anion can be replaced with a Pb atom to create a dipole and anisotropy within the anion to tune the crystal structure of alkali metal salts, enhancing ion cond...
| Main Authors: | , , , , , |
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| Format: | Journal Article |
| Language: | English |
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AMER CHEMICAL SOC
2023
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| Subjects: | |
| Online Access: | http://purl.org/au-research/grants/arc/FT160100303 http://hdl.handle.net/20.500.11937/97010 |
| _version_ | 1848766215804157952 |
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| author | Hales, Thomas A. Møller, Kasper T. Humphries, Terry D. D’Angelo, Anita M. Buckley, Craig E. Paskevicius, Mark |
| author_facet | Hales, Thomas A. Møller, Kasper T. Humphries, Terry D. D’Angelo, Anita M. Buckley, Craig E. Paskevicius, Mark |
| author_sort | Hales, Thomas A. |
| building | Curtin Institutional Repository |
| collection | Online Access |
| description | Metal dodecaborate salts have been identified as a new class of ion conductors that are highly tunable. A [B-H] unit within the dodecaborate anion can be replaced with a Pb atom to create a dipole and anisotropy within the anion to tune the crystal structure of alkali metal salts, enhancing ion conductivity for solid-state electrolyte (SSE) applications in batteries. Li2B11H11Pb·xH2O shows superionic conductivity up to ∼7 mS cm-1 at 120 °C, proving it comparable to state-of-the-art LiCB11H12 at these temperatures. Dehydration of the Li salt occurs above 120 °C, causing changes in the crystal structure and a decrease in the ion conductivity. Na2B11H11Pb·xH2O shows modest ion conductivity (0.01 mS cm-1 at 170 °C), whereas the potassium salt shows conductivities below 1 × 10-5 mS cm-1. The B11H11Pb2- analogues are proposed to be inferior ion conductors to the CB11H12- varieties due to the divalent B11H11Pb2- anion causing stronger bonding between the cation and anion, possibly higher energy required to move from position to position within the crystal structure. Despite this, the insertion of a lead atom into the dodecaborate cage shows promise in allowing high ion conductivity in the solid state. |
| first_indexed | 2025-11-14T11:47:37Z |
| format | Journal Article |
| id | curtin-20.500.11937-97010 |
| institution | Curtin University Malaysia |
| institution_category | Local University |
| language | English |
| last_indexed | 2025-11-14T11:47:37Z |
| publishDate | 2023 |
| publisher | AMER CHEMICAL SOC |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | curtin-20.500.11937-970102025-02-28T07:40:36Z Investigating the Potential of Alkali Metal Plumba-closo-Dodecaborate (B11H11Pb2–) Salts as Solid-State Battery Electrolytes Hales, Thomas A. Møller, Kasper T. Humphries, Terry D. D’Angelo, Anita M. Buckley, Craig E. Paskevicius, Mark Science & Technology Physical Sciences Technology Chemistry, Physical Nanoscience & Nanotechnology Materials Science, Multidisciplinary Chemistry Science & Technology - Other Topics Materials Science SODIUM SUPERIONIC CONDUCTION EFFECTIVE CORE POTENTIALS MOLECULAR CALCULATIONS LITHIUM STABILITY CHEMISTRY BORANES NA Metal dodecaborate salts have been identified as a new class of ion conductors that are highly tunable. A [B-H] unit within the dodecaborate anion can be replaced with a Pb atom to create a dipole and anisotropy within the anion to tune the crystal structure of alkali metal salts, enhancing ion conductivity for solid-state electrolyte (SSE) applications in batteries. Li2B11H11Pb·xH2O shows superionic conductivity up to ∼7 mS cm-1 at 120 °C, proving it comparable to state-of-the-art LiCB11H12 at these temperatures. Dehydration of the Li salt occurs above 120 °C, causing changes in the crystal structure and a decrease in the ion conductivity. Na2B11H11Pb·xH2O shows modest ion conductivity (0.01 mS cm-1 at 170 °C), whereas the potassium salt shows conductivities below 1 × 10-5 mS cm-1. The B11H11Pb2- analogues are proposed to be inferior ion conductors to the CB11H12- varieties due to the divalent B11H11Pb2- anion causing stronger bonding between the cation and anion, possibly higher energy required to move from position to position within the crystal structure. Despite this, the insertion of a lead atom into the dodecaborate cage shows promise in allowing high ion conductivity in the solid state. 2023 Journal Article http://hdl.handle.net/20.500.11937/97010 10.1021/acs.jpcc.2c07226 English http://purl.org/au-research/grants/arc/FT160100303 AMER CHEMICAL SOC fulltext |
| spellingShingle | Science & Technology Physical Sciences Technology Chemistry, Physical Nanoscience & Nanotechnology Materials Science, Multidisciplinary Chemistry Science & Technology - Other Topics Materials Science SODIUM SUPERIONIC CONDUCTION EFFECTIVE CORE POTENTIALS MOLECULAR CALCULATIONS LITHIUM STABILITY CHEMISTRY BORANES NA Hales, Thomas A. Møller, Kasper T. Humphries, Terry D. D’Angelo, Anita M. Buckley, Craig E. Paskevicius, Mark Investigating the Potential of Alkali Metal Plumba-closo-Dodecaborate (B11H11Pb2–) Salts as Solid-State Battery Electrolytes |
| title | Investigating the Potential of Alkali Metal Plumba-closo-Dodecaborate (B11H11Pb2–) Salts as Solid-State Battery Electrolytes |
| title_full | Investigating the Potential of Alkali Metal Plumba-closo-Dodecaborate (B11H11Pb2–) Salts as Solid-State Battery Electrolytes |
| title_fullStr | Investigating the Potential of Alkali Metal Plumba-closo-Dodecaborate (B11H11Pb2–) Salts as Solid-State Battery Electrolytes |
| title_full_unstemmed | Investigating the Potential of Alkali Metal Plumba-closo-Dodecaborate (B11H11Pb2–) Salts as Solid-State Battery Electrolytes |
| title_short | Investigating the Potential of Alkali Metal Plumba-closo-Dodecaborate (B11H11Pb2–) Salts as Solid-State Battery Electrolytes |
| title_sort | investigating the potential of alkali metal plumba-closo-dodecaborate (b11h11pb2–) salts as solid-state battery electrolytes |
| topic | Science & Technology Physical Sciences Technology Chemistry, Physical Nanoscience & Nanotechnology Materials Science, Multidisciplinary Chemistry Science & Technology - Other Topics Materials Science SODIUM SUPERIONIC CONDUCTION EFFECTIVE CORE POTENTIALS MOLECULAR CALCULATIONS LITHIUM STABILITY CHEMISTRY BORANES NA |
| url | http://purl.org/au-research/grants/arc/FT160100303 http://hdl.handle.net/20.500.11937/97010 |