Density functional theory study of ZnO nanostructures for NO and NO2 sensing

Spencer, M, Yarovsky, I, Wlodarski, W and Kalantar Zadeh, K 2007, 'Density functional theory study of ZnO nanostructures for NO and NO2 sensing', in G Delapierre, R Puers (ed.) Proceedings of Transducers/Eurosensors 2007: The 14th International Conference on Solid-State Sensors, Actuators and Microsystems Conference, Lyon, France, 10-14 June 2007, pp. 987-990.


Document type: Conference Paper
Collection: Conference Papers

Title Density functional theory study of ZnO nanostructures for NO and NO2 sensing
Author(s) Spencer, M
Yarovsky, I
Wlodarski, W
Kalantar Zadeh, K
Year 2007
Conference name Transducers/Eurosensors 2007: The 14th International Conference on Solid-State Sensors, Actuators and Microsystems Conference
Conference location Lyon, France
Conference dates 10-14 June 2007
Proceedings title Proceedings of Transducers/Eurosensors 2007: The 14th International Conference on Solid-State Sensors, Actuators and Microsystems Conference
Editor(s) G Delapierre, R Puers
Publisher IEEE
Place of publication Piscataway, USA
Start page 987
End page 990
Total pages 4
Abstract Using both experimental and theoretical techniques we examine ZnO nanostructures for gas sensing of NO2 and NO. ZnO nanoparticles were synthesized using liquid phase techniques. Density functional theory calculations of NO2 and NO adsorbed on the (101macr0) surface of ZnO showed that the interaction between the adsorbate and surface is very weak. The structure of the surface, as well as NO2 and NO are changed little upon adsorption. A positive work function change is caused by both adsorbates, indicating there is a transfer of charge from the surface to the adsorbate. Such a change is consistent with the experimental observation that NO2 reduces the conductivity of the substrate.
Subjects Nanometrology
Surfaces and Structural Properties of Condensed Matter
Keyword(s) gas sensors
density functional theory calculations
ZnO single crystal surface.
DOI - identifier 10.1109/SENSOR.2007.4300298
Copyright notice © 2007 IEEE
ISBN 1424408423
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