Failure-Experiment-Supported Optimization of Poorly Reproducible Synthetic Conditions for Novel Lanthanide Metal-Organic Frameworks with Two-Dimensional Secondary Building Units*.
lanthanides
machine learning
metal-organic frameworks
proton conductivity
solvothermal synthesis
Journal
Chemistry (Weinheim an der Bergstrasse, Germany)
ISSN: 1521-3765
Titre abrégé: Chemistry
Pays: Germany
ID NLM: 9513783
Informations de publication
Date de publication:
25 Nov 2021
25 Nov 2021
Historique:
received:
03
06
2021
pubmed:
9
10
2021
medline:
15
12
2021
entrez:
8
10
2021
Statut:
ppublish
Résumé
Novel metal-organic frameworks containing lanthanide double-layer-based secondary building units (KGF-3) were synthesized by using machine learning (ML). Isolating pure KGF-3 was challenging, and the synthesis was not reproducible because impurity phases were frequently obtained under the same synthetic conditions. Thus, dominant factors for the synthesis of KGF-3 were identified, and its synthetic conditions were optimized by using two ML techniques. Cluster analysis was used to classify the obtained powder X-ray diffractometry patterns of the products and thus automatically determine whether the experiments were successful. Decision-tree analysis was used to visualize the experimental results, after extracting factors that mainly affected the synthetic reproducibility. Water-adsorption isotherms revealed that KGF-3 possesses unique hydrophilic pores. Impedance measurements demonstrated good proton conductivities (σ=5.2×10
Identifiants
pubmed: 34623003
doi: 10.1002/chem.202102404
doi:
Substances chimiques
Lanthanoid Series Elements
0
Metal-Organic Frameworks
0
Protons
0
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
16347-16353Subventions
Organisme : precursory research for embryonic science and technology
ID : JPMJPR17NA
Organisme : japan society for the promotion of science
ID : 20H02577
Organisme : japan society for the promotion of science
ID : 17K00320
Organisme : japan society for the promotion of science
ID : 20H04680
Organisme : japan society for the promotion of science
ID : 20H04646
Organisme : Japan Society for the Promotion of Science
ID : 20K21165
Organisme : Japan Society for the Promotion of Science
ID : 21H04634
Informations de copyright
© 2021 Wiley-VCH GmbH.
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