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α-MoO3 thin sheets were successfully synthesized from all commercial materials using a fast, effective and simple method and characterized by X-ray diffractometer, scanning electron microscopy, IR and Raman spectroscopy. The prepared catalyst was highly active and selective to formaldehyde formation from methanol over a wide range of reaction temperatures comparing to the commercial one. We found...
Density functional theory (DFT), employing semilocal approximations to describe electron exchange and correlation effects, tremendously advanced the research in the realm of computational catalysis. It allows to calculate atomic and electronic structure details of extended systems like bulk solids, surfaces or nanoparticles with reasonable accuracy at moderate computational cost. However, semilocal...
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