2021
DOI: 10.1021/acs.jpcc.1c08009
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Site-Specific Hydrogen Reactivity of Zn0.05Mg0.95O Nanopowders

Abstract: Here we present a combined theoretical and experimental study of hydrogen adsorption on Zn-functionalized MgO surface. We have systematically compared infrared spectra recorded at increasing hydrogen pressure (10–5–100 mbar) on rock-salt Zn0.05Mg0.95O and MgO nanocubes. The interpretation of vibrations involving hydrogen was supported by ab initio calculations following the same strategy as for pure MgO. Despite the small Zn concentration, we unambiguously recorded Zn-specific signals. Most interestingly, we f… Show more

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