Para acceder a los documentos con el texto completo, por favor, siga el siguiente enlace: http://hdl.handle.net/2445/7541

Ab initio study of NOx compounds adsorption on SnO2 surface
Prades García, Juan Daniel; Cirera Hernández, Albert; Morante i Lleonart, Joan Ramon; Pruneda, J. Miguel; Ordejón, Pablo
Universitat de Barcelona
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.
04-05-2010
Detectors de gasos
Semiconductors
Gas detectors
Semiconductors
(c) Elsevier B.V., 2006
Artículo
Elsevier
         

Mostrar el registro completo del ítem

Documentos relacionados

Otros documentos del mismo autor/a

Prades García, Juan Daniel; Arbiol i Cobos, Jordi; Cirera Hernández, Albert; Morante i Lleonart, Joan Ramon; Avella, M.; Zanotti, L.; Comini, E.; Faglia, G.; Sberveglieri, G.
Prades García, Juan Daniel; Hernández Ramírez, Francisco; Jiménez Díaz, Román; Manzanares, M.; Andreu Arbella, Teresa; Cirera Hernández, Albert; Romano Rodríguez, Alberto; Morante i Lleonart, Joan Ramon
Garcia-Castello, Nuria; Illera Robles, Sergio; Guerra, Roberto; Prades García, Juan Daniel; Ossicini, Stefano; Cirera Hernández, Albert
Monereo, O.; Casals Guillén, Olga; Prades García, Juan Daniel; Cirera Hernández, Albert
Monereo, O.; Illera Robles, Sergio; Varea, A.; Schmidt, M.; Sauerwald, T.; Schütze, A.; Cirera Hernández, Albert; Prades García, Juan Daniel