Strain Engineering of ZrO2@TiO2 Core@shell Nanoparticle Photocatalysts
نویسندگان
چکیده
TiO2 photocatalysts can provide carbon-capture utilization and storage by converting atmospheric CO2 to green hydrogen, but the efficiency of current is still too low for economical usage. Anatase effective in transferring electrons holes produced photoelectric effect reactants because its oxygen-terminated surfaces. However, anatase bandgap 3.2 eV, which requires photons with wavelengths 375 nm or less produce electron–hole pairs. Therefore, limited using a small part solar spectrum. Strain engineering has been used design ZrO2@TiO2 core@shell structures large strains shell, reduces maintains octahedral facets charge separation surfaces catalysis reactants. Finite element analysis shows that shell thicknesses 4–12 are at obtaining portion largest occurring next ZrO2 surface. The c-axis shells up 7%. reduce 0.35 allows use sunlight 421 nm. For AM 1.5 standard spectrum, pair creation 4 thick 10 be increased predicted 25% 23%, respectively. much larger volume proportionally ZrO2. In addition, surface-plasmon resonators could added further extend usable spectrum increase production pairs many-fold.
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ژورنال
عنوان ژورنال: Solar
سال: 2023
ISSN: ['1816-2924']
DOI: https://doi.org/10.3390/solar3010002