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A new theoretical model for hexagonal ice, Ih(d), from first principles investigations
(Zeitschrift fur Naturforschung. Section B: Journal of Chemical Sciences, 2020)
Due to their great importance in science, technology, and the life sciences, water and ice have been extensively investigated over many years. In particular, hexagonal ice Ih has been of great interest since it is the most ...
Crystalline WO3 nanoparticles for No2 sensing
(Processing and Application of Ceramics, 2020)
This study shows excellent NO2-sensing properties of tungsten oxide nanoparticles, prepared using a facile procedure which includes dissolution of metallic tungsten in hydrogen peroxide with subsequent low-temperature (400 ...
Structure prediction, high pressure effect and properties investigation of superhard B6O
(Modelling and Simulation in Materials Science and Engineering, 2020)
Ab initio data mining approach has been used in order to investigate B6O system and discover new possible modifications, besides experimentally known R-3m (α-B6O) structure and theoretically predicted Cmcm (β-B6O) structure. ...