FINALES - Electrolyte optimization for maximum conductivity and for maximum cycle life

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<oai_dc:dc xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
  <dc:creator>Steensen, Simon K.</dc:creator>
  <dc:creator>Vogler, Monika</dc:creator>
  <dc:creator>Ramirez, Francisco Fernando</dc:creator>
  <dc:creator>Merker, Leon</dc:creator>
  <dc:creator>Busk, Jonas</dc:creator>
  <dc:creator>Carlsson, Johan M.</dc:creator>
  <dc:creator>Rieger, Laura Hannemose</dc:creator>
  <dc:creator>Zhang, Bojing</dc:creator>
  <dc:creator>Liot, Francois</dc:creator>
  <dc:creator>Pizzi, Giovanni</dc:creator>
  <dc:creator>Hanke, Felix</dc:creator>
  <dc:creator>Flores, Eibar</dc:creator>
  <dc:creator>Hajiyani, Hamidreza</dc:creator>
  <dc:creator>Fuchs, Stefan</dc:creator>
  <dc:creator>Sanin, Alexey</dc:creator>
  <dc:creator>Gaberšček, Miran</dc:creator>
  <dc:creator>Castelli, Ivano E.</dc:creator>
  <dc:creator>Clark, Simon</dc:creator>
  <dc:creator>Vegge, Tejs</dc:creator>
  <dc:creator>Bhowmik, Arghya</dc:creator>
  <dc:creator>Stein, Helge S.</dc:creator>
  <dc:date>2024-05-14</dc:date>
  <dc:description>This study investigates an electrolyte system composed of lithium hexafluorophosphate (LiPF6), ethylene carbonate (EC) and ethyl methyl carbonate (EMC). For the assembly of full cells, electrodes based on graphite and lithium nickel dioxide (LNO) are used. This work provides insight into the similarity of formulations of an electrolyte optimized for maximum conductivity and another one optimized for maximum cycle life are expected to be in this chemical system. The goal is to assess whether it is promising to target research efforts on finding an electrolyte formulation within this chemical space which can fulfill both requirements.
A campaign utilizing the latest version of FINALES is designed to determine conductivity values and predict end of life for various electrolyte formulations containing the aforementioned chemicals. The campaigns were able to reproducibly identify regions of high ionic conductivity of the aforementioned chemical composition. The ML methodology applied for the EOL optimisation allowed accelerated early life-time predictions.</dc:description>
  <dc:identifier>https://archive.materialscloud.org/record/2024.73</dc:identifier>
  <dc:identifier>doi:10.24435/materialscloud:qt-1s</dc:identifier>
  <dc:identifier>mcid:2024.73</dc:identifier>
  <dc:identifier>oai:materialscloud.org:2177</dc:identifier>
  <dc:language>en</dc:language>
  <dc:publisher>Materials Cloud</dc:publisher>
  <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
  <dc:rights>Creative Commons Attribution 4.0 International https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights>
  <dc:subject>BIG-MAP</dc:subject>
  <dc:subject>Battery</dc:subject>
  <dc:subject>Electrolyte formulation</dc:subject>
  <dc:subject>End-of-lifetime</dc:subject>
  <dc:subject>ionic conductivity</dc:subject>
  <dc:subject>Material Acceleration Platform</dc:subject>
  <dc:subject>MAP</dc:subject>
  <dc:subject>electronic structure</dc:subject>
  <dc:subject>machine learning</dc:subject>
  <dc:subject>Experimental</dc:subject>
  <dc:title>FINALES - Electrolyte optimization for maximum conductivity and for maximum cycle life</dc:title>
  <dc:type>Dataset</dc:type>
</oai_dc:dc>