六方相WO3高活性面有毒有害气体吸附与传感机理研讨.pdf

Abstract Withthe of and emissionsoftoxic as developmenteconomyindustry，the gases(such toincrease．Thiscausednot serious to CO，NOx，NI--13，H2S，etc．)continue only damage the also hazardstohumanhealth．Inrecent environment，but badly years，aspeople’S awarenessofenvironmental workershavebeen alotof protection，scientific given attentionto a ofnew and variety explore high-performance，low-costeshigh-sensitivity sensors．Inthis functional havebeenusedto gas work，densitytheory(DFT)calculations theCOand mechanism． study NOx gassensing ofCOonO-／WO-terminated Firstly，theadsorption hexagonalW03(001)surfaces Wasstudied DFTcalculation．Onthe systematicallyby WO-terminated(001)surface，the surfaceobtainsO．14efrom decreasedsurfaceresistance．W1lileonthe CO，then oxidized all is into onthe 1)surface，CO C02 O-terminated(00 leavingoxygenvacancy surface transferof0．50 surface，decreased resistance(谢tllcharge resultsindicatethat cana CO sensor． h—W03begoodgas fourth the also theCO onthe Then，in chapter，weinvestigatedadsorptionoxygen deficient influenceofsurfacedefect hexagonalW03(11-w03)(001)surface．The density isalso thatthe