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Tailoring ammonia capture in MOFs and COFs: A multi-scale and machine learning comprehensive investigation of

Georgios K Stavroglou1, Emmanuel Tylianakis1,2, George E Froudakis1

  • 1Department of Chemistry, University of Crete, Voutes Campus, GR-70013, Heraklion, Crete, Greece.

Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|March 6, 2024
PubMed

Keywords:
AdsorptionCovalent-organic frameworksDensity functional theoryGrand canonical Monte CarloMachine LearningMetal-organic frameworks

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