Microstructured single- and double-layered sensor devices based on p-type hydrogen-terminated nanocrystalline diamond (NCD) films and/or n-type ZnO nanorods (NRs) have been obtained via a facile microwave-plasma-enhanced chemical vapour deposition process or a hydrothermal growth procedure. The morphology and crystal structure of the synthesized materials was analysed with scanning electron microscopy, X-ray diffraction measurements and Raman spectroscopy. The gas sensing properties of the sensors based on i) NCD films, ii) ZnO nanorods, and iii) hybrid ZnO NRs/NCD structures were evaluated with respect to oxidizing (i.e., NO2, CO2) and reducing (i.e., NH3) gases at 150 °C. The hybrid ZnO NRs/NCD sensor showed a remarkably enhanced NO2 response compared to the ZnO NRs sensor. Further, inspired by this special hybrid structure, the simulation of interaction between the gas molecules (NO2 and CO2) and hybrid ZnO NRs/NCD sensor was studied using DFT calculations.
Keywords: density functional theory (DFT); gas sensor; interdigital electrodes; nanocrystalline diamond; sensitivity; zinc oxide (ZnO).