JOURNAL ARTICLE
Elucidating correlated defects in metal organic frameworks using theory-guided inelastic neutron scattering spectroscopy
L. S. R. CavalcanteMakena DettmannTyler SoursDong YangLuke L. DaemenBruce C. GatesAmbarish KulkarniAdam J. Moulé
Year: 2022 Journal: Materials Horizons Vol: 10 (1)Pages: 187-196 Publisher: Royal Society of Chemistry
Abstract
A new approach that combines INS and DFT to unveil the complexity of defects in MOFs at the atomic level.
Keywords:
Density functional theory Inelastic neutron scattering Topology (electrical circuits) Spectroscopy Materials science Phonon Cluster (spacecraft) Neutron Crystallography Node (physics) Chemical physics Neutron scattering Molecular physics Computational chemistry Chemistry Physics Computer science Condensed matter physics Quantum mechanics Mathematics
Metrics
6
Cited By
0.63
FWCI (Field Weighted Citation Impact)
58
Refs
0.56
Citation Normalized Percentile
Is in top 1%
Is in top 10%
Citation History
Topics
Metal-Organic Frameworks: Synthesis and Applications
Physical Sciences → Chemistry → Inorganic Chemistry
Machine Learning in Materials Science
Physical Sciences → Materials Science → Materials Chemistry
X-ray Diffraction in Crystallography
Physical Sciences → Materials Science → Materials Chemistry
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