Energies · 2023 · 12 citations · 34 references
Natural SciencesMaterials EngineeringMaterials ScienceNanomaterialsNanotechnologySensorsGas SensorsMetal Oxide NanomaterialsMetal OxidesNanomaterial CharacterizationNanosensorsOxide SemiconductorsMetal Oxide Gas SensorsNanofiber MaterialsNanomaterial-based SensorsNanostructured Gas SensorsNanostructured SensorsSemiconductor Gas SensorsZinc Oxide NanostructuresZinc Oxides
ZnO is a commonly used material for hydrogen gas sensors. In this study, a ZnO nanofiber film with a diameter of approximately 60 nm was synthesized by the electrospinning method. Compared to previously reported ZnO hydrogen gas sensors, an abnormal phenomenon was observed here, where the resistance of the ZnO nanofiber film increased upon exposure to hydrogen gas in the temperature range from 210 °C to 330 °C. The physical mechanism of this phenomenon was explored through microstructure analysis and DFT simulation calculations that showed a total charge transfer of 0.65 e for the hydrogen molecule. This study can push forward the understanding of ZnO hydrogen sensing.
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Self-Consistent Equations Including Exchange and Correlation Effects
W. Kohn, L. J. Sham · Physical Review · 1965 · 63.2K citations · Full text
First principles methods using CASTEP
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