Hoffmann, M.W.G.M.W.G.HoffmannMayrhofer, L.L.MayrhoferCasals, O.O.CasalsCaccamo, L.L.CaccamoHernandez-Ramirez, F.F.Hernandez-RamirezLilienkamp, G.G.LilienkampDaum, W.W.DaumMoseler, M.M.MoselerWaag, A.A.WaagShen, H.H.ShenPrades, J.D.J.D.Prades2022-03-042022-03-042014https://publica.fraunhofer.de/handle/publica/23831710.1002/adma.201403073Selectivity 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.enselective sensingself-powereddensity functional theory (DFT)self-assembled monolayershybrid materials620journal article