A Density Functional Theory Study of NH 3 and NO Adsorption on the β-MnO 2 (110) Surface
A Density Functional Theory Study of NH 3 and NO Adsorption on the β-MnO 2 (110) Surface
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The adsorption of NH 3 and NO on the β-MnO 2 (1 1 0) surface has been investigated by density functional theory using periodic models. The energetically favourable sites of adsorption of the gases on the β-MnO 2 surface are 4-fold coordinate Mn (Mn4-top) and 5-fold coordinate Mn (Mn5-top). The relative adsorption energies ( E ads ) of these gases o...
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A Density Functional Theory Study of NH 3 and NO Adsorption on the β-MnO 2 (110) Surface
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TN_cdi_crossref_primary_10_3184_146867818X15233705894428
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https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_crossref_primary_10_3184_146867818X15233705894428
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ISSN
1468-6783
E-ISSN
1471-406X
DOI
10.3184/146867818X15233705894428
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