dc.contributor.author
Prades García, Juan Daniel
dc.contributor.author
Cirera Hernández, Albert
dc.contributor.author
Morante i Lleonart, Joan Ramon
dc.contributor.author
Pruneda, J. Miguel
dc.contributor.author
Ordejón, Pablo
dc.date.issued
2009-04-02T10:07:26Z
dc.date.issued
2009-04-02T10:07:26Z
dc.identifier
https://hdl.handle.net/2445/7541
dc.description.abstract
An ab initio study of the adsorption processes on NOx compounds on (1 1 0) SnO2 surface is presented with the aim of providing theoretical hints for the development of improved NOx gas sensors. From first principles calculations (DFT¿GGA approximation), the most relevant NO and NO2 adsorption processes are analyzed by means of the estimation of their adsorption energies. The resulting values and the developed model are also corroborated with experimental desorption temperatures for NO and NO2, allowing us to explain the temperature-programmed desorption experiments. The interference of the SO2 poisoning agent on the studied processes is discussed and the adsorption site blocking consequences on sensing response are analyzed.
dc.format
application/pdf
dc.relation
Versió Postprint del document publicat a http://dx.doi.org/10.1016/j.snb.2006.10.040
dc.relation
Sensors and Actuators B: Chemical, Volume 126, Issue 1, Functional Materials for Micro and Nanosystems - EMRS, Containing Selected papers from the European Materials research Society (E-MRS 2006) Symposium G:, 20 September 2007, Pages 62-67.
dc.relation
http://dx.doi.org/10.1016/j.snb.2006.10.040
dc.rights
(c) Elsevier B.V., 2006
dc.rights
info:eu-repo/semantics/openAccess
dc.source
Articles publicats en revistes (Enginyeria Electrònica i Biomèdica)
dc.subject
Detectors de gasos
dc.subject
Semiconductors
dc.subject
Semiconductors
dc.title
Ab initio study of NOx compounds adsorption on SnO2 surface
dc.type
info:eu-repo/semantics/article
dc.type
info:eu-repo/semantics/acceptedVersion
