Theoretical infrared spectra of OH defects in corundum (α-Al 2 O 3 )
Theoretical infrared spectra of OH defects in corundum (α-Al 2 O 3 )
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Göttingen: Copernicus GmbH
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Language
English
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Göttingen: Copernicus GmbH
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Contents
The atomic-scale structure, relative stability and infrared spectroscopic properties of OH defects in corundum (α-Al2O3) are theoretically investigated at the density functional theory level. Comparison with experimental data makes it possible to assign most of the narrow bands observed between 3150 and 3400 cm−1 in natural and Ti- or V-doped synth...
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Full title
Theoretical infrared spectra of OH defects in corundum (α-Al 2 O 3 )
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TN_cdi_doaj_primary_oai_doaj_org_article_2475e7ab7c8e43d68fd68ad17ab67354
Permalink
https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_doaj_primary_oai_doaj_org_article_2475e7ab7c8e43d68fd68ad17ab67354
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ISSN
1617-4011,0935-1221
E-ISSN
1617-4011
DOI
10.5194/ejm-32-457-2020
