Decoupling the Chemical and Mechanical Strain Effect on Steering the CO2 Activation over CeO2-Based Oxides: An Experimental and DFT Approach.
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ABSTRACT:
SUBMITTER: Polychronopoulou K
PROVIDER: S-EPMC9335529 | biostudies-literature | 2022 Jul
REPOSITORIES: biostudies-literature
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Decoupling the Chemical and Mechanical Strain Effect on Steering the CO<sub>2</sub> Activation over CeO<sub>2</sub>-Based Oxides: An Experimental and DFT Approach.
Polychronopoulou Kyriaki K AlKhoori Sara S AlBedwawi Shaima S Alareeqi Seba S Hussien Aseel G S AGS Vasiliades Michalis A MA Efstathiou Angelos M AM Petallidou Klito C KC Singh Nirpendra N Anjum Dalaver H DH Vega Lourdes F LF Baker Mark A MA
ACS applied materials & interfaces 20220712 29
Doped ceria-based metal oxides are widely used as supports and stand-alone catalysts in reactions where CO<sub>2</sub> is involved. Thus, it is important to understand how to tailor their CO<sub>2</sub> adsorption behavior. In this work, steering the CO<sub>2</sub> activation behavior of Ce-La-Cu-O ternary oxide surfaces through the combined effect of chemical and mechanical strain was thoroughly examined using both experimental and ab initio modeling approaches. Doping with aliovalent metal cat ...[more]
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