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Highly Selective SAM-Nanowire Hybrid NO2 Sensor: Insight into Charge Transfer Dynamics and Alignment of Frontier Molecular Orbitals
Hoffmann, Martin W. G.; Prades García, Juan Daniel; Mayrhofer, L.; Hernández Ramírez, Francisco; Järvi, T.T.; Moseler, M.; Waag, A.; Shen, H.
Universitat de Barcelona
Selectivity and low power consumption are major challenges in the development of sophisticated gas sensor devices. A sensor system is presented that unifies selective sensor-gas interactions and energy-harvesting properties, using defined organic-inorganic hybrid materials. Simulations of chemical-binding interactions and the consequent electronic surface modulation give more insight into the complex sensing mechanism of selective gas detection.
Detectors de gasos
Orbitals moleculars
Teoria del funcional de densitat
Superfícies (Física)
Gas detectors
Molecular orbitals
Density functionals
Surfaces (Physics)
(c) Wiley-VCH, 2014
Article
info:eu-repo/semantics/acceptedVersion
Wiley-VCH
         

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Gad, A.; Hoffmann, Martin W. G.; Casals Guillén, Olga; Mayrhofer, L.; Fábrega, Cristian; Caccamo, Lorenzo; Hernández Ramírez, Francisco; Mohajerani, M. S.; Moseler, M.; Shen, H.; Waag, A.; Prades García, Juan Daniel
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