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Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
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Polybenzimidazole (PBI) hollow fiber membranes were used to treat flue gas desulfurization (FGD) wastewater (WW) from a coal fired power plant. Membranes were tested using both single salt solutions and real FGD WW. The PBI membranes showed >99% rejection for single salt solutions of NaCl, MgCl2, CaSO4, and CaCl2 at approximately 2000 PPM (parts per million). The membranes also showed >97% rejection for FGD WW concentrations ranging from 6900 to 14,400 PPM total dissolved solids (TDS). The pH of the FGD WW was adjusted between 3.97–8.20, and there was an optimal pH between 5.31 and 7.80 where %rejection reached a maximum of >99%. The membranes were able to operate stably up to 50 °C, nearly doubling the water flux as compared to room temperature, and while maintaining >98% salt rejection.
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TiN/Hf x Zr 1-x O 2 (HZO)/TiN capacitors were prepared using two types of HZO films fabricated by atomic layer deposition using H 2 O or O 2 plasma as an oxidant gas, and post-deposition annealing at 400 °C was performed before the TiN top-electrode fabrication. The ferroelectric orthorhombic phase was dominantly formed for the O 2 plasma-based capacitor due to the strongly oxidizing source of O 2 plasma, resulted in higher remanent polarization (2P r = 20 µC/cm 2 ) than that (13 µC/cm 2 ) of the H 2 O-based capacitor. The fatigue properties for the O 2 plasma-based capacitor were improved by 14 % after 106 cycles compared to the H 2 O-based capacitor. This could be attributed to an oxygen-rich interface reaction layer (IRL) including TiO x between the HZO film and TiN bottom-electrode for the O 2 plasma-based capacitor. In conclusion, based on these results, superior 2P r and fatigue properties can be obtained using O 2 plasma-based HZO films.