Ab Initio Study Of Zno-Based Gas-Sensing Mechanisms: Surface Reconstruction And Charge Transfer

Density functional theory (DFT) calculations were employed to explore the gas-sensing mechanisms of zinc oxide (ZnO) with surface reconstruction taken into consideration. Mix-terminated (10 (1) over bar0) ZnO surfaces were examined. By simulating the adsorption process of various gases, i.e., H-2, NH3, CO, and ethanol (C2H5OH) gases, on the ZnO (10 (1) over bar0) surface, the changes of configuration and electronic structure were compared. Based on these calculations, two gas-sensing mechanisms were proposed and revealed that both surface reconstruction and charge transfer result in a change of electronic conductance of ZnO. Also, the calculations were compared with existing experiments.

Experimental Study Of Multi-Hole Cooling For Integrally-Woven, Ceramic Matrix Composite Walls For Gas Turbine Applications

In this paper, multi-hole cooling is studied for an oxide/oxide ceramic specimen with normal injection holes and for a SiC/SiC ceramic specimen with oblique injection holes. A special purpose heat transfer tunnel was designed and built, which can provide a wide range of Reynolds numbers (10(5)similar to 10(7)) and a large temperature ratio of the primary flow to the coolant (up to 2.5). Cooling effectiveness determined by the measured surface temperature for the two types of ceramic specimens is investigated. It is found that the multi-hole cooling system for both specimens has a high cooling efficiency and it is higher for the SiC/SiC specimen than for the oxide/oxide specimen. Effects on the cooling effectiveness of parameters including blowing ratio, Reynolds number and temperature ratio, are studied. In addition, profiles of the mean velocity and temperature above the cooling surface are measured to provide further understanding of the cooling process. Duplication of the key parameters for multi-hole cooling, for a representative combustor flow condition (without radiation effects), is achieved with parameter scaling and the results show the high efficiency of multi-hole cooling for the oblique hole, SiC/SiC specimen. (C) 2008 Elsevier Ltd. All rights reserved.