High-resolution optical spectrometry for lithium isotope ratio analysis

  • An alternative method for lithium isotope amount ratio analysis is proposed by combining atomic absorption spectrometry with spectra data analysis by machine leaning. It is based on the well-known isotope shift of around 15 pm for the electronic transition at wavelength 670.7845 nm which can be measured by a high-resolution continuum source atomic absorption spectrometer (HR-CS-AAS). For isotope amount ratio analysis, a scalable three boosting machine learning algorithm (XGBoost) was employed and calibrated with a set of samples with a 6Li isotope amount fraction ranging from 99% to 6%. The absolute Li isotope amount fractions of these calibration samples were previously measured by multi-collector inductively coupled plasma mass spectrometry (MC-ICP-MS) and used as ab-initio data for the machine learning algorithm. Validation of the machine leaning model was performed with two standard reference materials (LSVEC and IRMM-016). The procedure was employed for the isotope amount ratioAn alternative method for lithium isotope amount ratio analysis is proposed by combining atomic absorption spectrometry with spectra data analysis by machine leaning. It is based on the well-known isotope shift of around 15 pm for the electronic transition at wavelength 670.7845 nm which can be measured by a high-resolution continuum source atomic absorption spectrometer (HR-CS-AAS). For isotope amount ratio analysis, a scalable three boosting machine learning algorithm (XGBoost) was employed and calibrated with a set of samples with a 6Li isotope amount fraction ranging from 99% to 6%. The absolute Li isotope amount fractions of these calibration samples were previously measured by multi-collector inductively coupled plasma mass spectrometry (MC-ICP-MS) and used as ab-initio data for the machine learning algorithm. Validation of the machine leaning model was performed with two standard reference materials (LSVEC and IRMM-016). The procedure was employed for the isotope amount ratio determination of a set of stock chemicals (Li2CO3, LiNO3, LiCl, LiOH, and LiF) as well as a BAM candidate LiMNC cathode reference material. Achieved uncertainties are one order of magnitude higher than those obtained by MC-ICP-MS. This precision and accuracy is nonetheless sufficient to resolve natural occurring variations in Lithium isotope ratios. Also, the LiMNC material was analyzed by HR-CS-AAS with and without matrix purification. The results are comparable within statistical error.zeige mehrzeige weniger

Volltext Dateien herunterladen

  • High-resolution_optical_spectrometry_for_lithium_isotope_ratio_analysis.pdf
    eng

Metadaten exportieren

Weitere Dienste

Teilen auf Twitter Suche bei Google Scholar
Metadaten
Autoren/innen:Alexander Winckelmann
Koautoren/innen:Carlos Enrique Abad Andrade
Dokumenttyp:Vortrag
Veröffentlichungsform:Präsentation
Sprache:Englisch
Jahr der Erstveröffentlichung:2020
Organisationseinheit der BAM:1 Analytische Chemie; Referenzmaterialien
1 Analytische Chemie; Referenzmaterialien / 1.6 Anorganische Referenzmaterialien
DDC-Klassifikation:Naturwissenschaften und Mathematik / Chemie / Analytische Chemie
Technik, Medizin, angewandte Wissenschaften / Ingenieurwissenschaften / Ingenieurwissenschaften und zugeordnete Tätigkeiten
Technik, Medizin, angewandte Wissenschaften / Ingenieurwissenschaften / Angewandte Physik
Freie Schlagwörter:HR-CS-AAS; Isotope analysis; Lithium batteries; Machine learning
Themenfelder/Aktivitätsfelder der BAM:Energie
Energie / Energiespeicherung
Material
Material / Materialien und Stoffe
Analytical Sciences
Analytical Sciences / Spurenanalytik und chemische Zusammensetzung
Veranstaltung:Groupseminar - GFZ Potsdam
Veranstaltungsort:Online Meeting
Beginndatum der Veranstaltung:27.10.2020
Verfügbarkeit des Dokuments:Datei im Netzwerk der BAM verfügbar ("Closed Access")
Datum der Freischaltung:18.11.2020
Referierte Publikation:Nein