Li₄₋ₓGe₁₋ₓPₓO₄, a potential solid-state electrolyte for all-oxide microbatteries
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{
"id": "574",
"updated": "2021-07-09T18:41:54.065010+00:00",
"metadata": {
"version": 1,
"contributors": [
{
"givennames": "Elisa",
"affiliations": [
"Research with Neutrons and Muons (NUM), Paul Scherrer Institute, CH-5232 Villigen, Switzerland",
"National Centre for Computational Design and Discovery of Novel Materials (MARVEL), 1015 Lausanne, Switzerland"
],
"email": "elisa.gilardi@psi.ch",
"familyname": "Gilardi"
},
{
"givennames": "Giuliana",
"affiliations": [
"National Centre for Computational Design and Discovery of Novel Materials (MARVEL), 1015 Lausanne, Switzerland",
"Theory and Simulations of Materials (THEOS), E\u0301cole Polytechnique Fede\u0301rale de Lausanne, 1015 Lausanne, Switzerland"
],
"email": "giuliana.materzanini@epfl.ch",
"familyname": "Materzanini"
},
{
"givennames": "Leonid",
"affiliations": [
"National Centre for Computational Design and Discovery of Novel Materials (MARVEL), 1015 Lausanne, Switzerland",
"Theory and Simulations of Materials (THEOS), E\u0301cole Polytechnique Fede\u0301rale de Lausanne, 1015 Lausanne, Switzerland"
],
"familyname": "Kahle"
},
{
"givennames": "Max",
"affiliations": [
"Ion Beam Physics, ETH Zu\u0308rich, CH-8093 Zu\u0308rich, Switzerland"
],
"familyname": "Doebeli"
},
{
"givennames": "Steven",
"affiliations": [
"National Centre for Computational Design and Discovery of Novel Materials (MARVEL), 1015 Lausanne, Switzerland",
"Energy and Environment Research Division (ENE), Paul Scherrer Institute, CH-5232 Villigen, Switzerland"
],
"familyname": "Lacey"
},
{
"givennames": "Xi",
"affiliations": [
"Research with Neutrons and Muons (NUM), Paul Scherrer Institute, CH-5232 Villigen, Switzerland",
"National Centre for Computational Design and Discovery of Novel Materials (MARVEL), 1015 Lausanne, Switzerland"
],
"familyname": "Cheng"
},
{
"givennames": "Nicola",
"affiliations": [
"National Centre for Computational Design and Discovery of Novel Materials (MARVEL), 1015 Lausanne, Switzerland",
"Theory and Simulations of Materials (THEOS), E\u0301cole Polytechnique Fede\u0301rale de Lausanne, 1015 Lausanne, Switzerland"
],
"familyname": "Marzari"
},
{
"givennames": "Daniele",
"affiliations": [
"Research with Neutrons and Muons (NUM), Paul Scherrer Institute, CH-5232 Villigen, Switzerland",
"Energy and Environment Research Division (ENE), Paul Scherrer Institute, CH-5232 Villigen, Switzerland",
"National Centre for Computational Design and Discovery of Novel Materials (MARVEL), 1015 Lausanne, Switzerland"
],
"familyname": "Pergolesi"
},
{
"givennames": "Andreas",
"affiliations": [
"Daimler AG, 70546 Stuttgart, Germany"
],
"familyname": "Hintennach"
},
{
"givennames": "Thomas",
"affiliations": [
"Research with Neutrons and Muons (NUM), Paul Scherrer Institute, CH-5232 Villigen, Switzerland",
"Laboratory of Inorganic Chemistry, Department of Chemistry and Applied Biosciences, ETH Zu\u0308rich, 8093 Zu\u0308rich, Switzerland"
],
"familyname": "Lippert"
}
],
"title": "Li\u2084\u208b\u2093Ge\u2081\u208b\u2093P\u2093O\u2084, a potential solid-state electrolyte for all-oxide microbatteries",
"_oai": {
"id": "oai:materialscloud.org:574"
},
"keywords": [
"solid-state electrolytes",
"thin films",
"microbatteries",
"first-principles molecular dynamics",
"LISICON",
"LGPO",
"ionic transport",
"MARVEL/Inc1",
"Li4\u2013xGe1\u2013xPxO4",
"BIG-MAP"
],
"publication_date": "Nov 06, 2020, 11:18:59",
"_files": [
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"description": "Data related to the first-principles molecular dynamics simulations",
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"key": "README.txt",
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"references": [
{
"comment": "Original scientific publication (paper)",
"doi": "10.1021/acsaem.0c01601",
"citation": "E. Gilardi, G. Materzanini, L. Kahle, M. D\u00f6beli, S. Lacey, X. Cheng, N. Marzari, D. Pergolesi, A. Hintennach, T. Lippert, ACS Applied Energy Materials, 3, 10, 9910\u20139917 (2020)",
"url": "https://pubs.acs.org/doi/10.1021/acsaem.0c01601",
"type": "Journal reference"
},
{
"citation": "E. Gilardi, G. Materzanini, L. Kahle, M. D\u00f6beli, S. Lacey, X. Cheng, N. Marzari, D. Pergolesi, A. Hintennach, T. Lippert, arXiv:2010.02608",
"url": "https://arxiv.org/abs/2010.02608",
"type": "Preprint"
}
],
"description": "Solid-state electrolytes for Li-ion batteries are attracting growing interest as they allow building safer batteries, also using lithium-metal anodes. Here, we studied a compound in the lithium superionic conductor (LISICON) family, i.e. Li\u2084\u208b\u2093Ge\u2081\u208b\u2093P\u2093O\u2084 (LGPO). Thin films were deposited via pulsed laser deposition, and their electrical properties were compared to those of ceramic pellets. A detailed characterization of their microstructures shows that thin films can be deposited fully crystalline at higher temperatures but also partially amorphous at room temperature. The conductivity is not strongly influenced by the presence of grain boundaries, exposure to air, or lithium deficiencies. First-principles molecular dynamics simulations were employed to calculate the lithium-ion diffusion profile and the conductivity at various temperatures of the ideal LGPO crystal. Simulations give the upper limit of conductivity for a defect-free crystal, which is in the range of 10\u20132 S cm\u20131 at 300 \u00b0C. The ease of thin-film fabrication and room-temperature Li-ion conductivity in the range of a few \u03bcS cm\u20131 make LGPO a very appealing electrolyte material for thin-film all-solid-state all-oxide microbatteries.",
"status": "published",
"license": "Creative Commons Attribution 4.0 International",
"conceptrecid": "573",
"is_last": true,
"mcid": "2020.142",
"edited_by": 224,
"id": "574",
"owner": 224,
"license_addendum": null,
"doi": "10.24435/materialscloud:3a-9v"
},
"revision": 9,
"created": "2020-10-08T13:52:13.858177+00:00"
}