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The adsorption of furfural on SrTiO3 and SrCoxTi1-xO3 perovskites: A DFT study within the molecular cluster approach

Toledo, Felipe Silva et al.
Repositorio de Universidad Autónoma de Chile. · Papers
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adsorptiondftdopingperovskite
The adsorption of furfural on SrTiO3 and SrCoxTi1-xO3 perovskites is addressed by DFT calculations within the molecular cluster approach. The results show that the mode of adsorption depend on the type of isomer, cis or trans. The cis isomer adsorbs through the interaction of both oxygen atoms of fu
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