Dresden 2017 – wissenschaftliches Programm
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O: Fachverband Oberflächenphysik
O 45: Organic-Inorganic Hybrid Systems and Organic Films
O 45.19: Poster
Dienstag, 21. März 2017, 18:30–20:30, P1A
Theoretical Insights into Highly Selective Organic-Inorganic hybrid NO2 Gas Sensors — •Giulio Cocco1, Leonhard Mayrhofer1, Alaaeldin Gad2, Olga Casals3, Nicolai Markiewicz2, Juan Prades3, Andreas Waag2, and Michael Moseler1 — 1Freiburg Materials Research Center, University of Freiburg, D-79104 Freiburg, Germany — 2Institute for Semiconductor Technology, Braunschweig University of Technology, Hans-Sommer-Straße 66, D-38106 Braunschweig, Germany — 3MIND-IN2UB, Department of Electronics, University of Barcelona, C/Martí i Franquès 1, E-08028 Barcelona, Spain
The low selectivity of inorganic gas sensors is among the issues hindering their applications in environmental monitoring. Semiconductor nanowires (NWs) functionalized by self-assembled monolayers (SAMs) of organic molecules are a promising class of materials offering selectivity and sensitivity towards single gas species [1][2][3]. DFT simulations will be used to give insights on this new approach of highly selective NO2 gas sensors. However, moisture is a critical factor influencing stability and responses towards gas. A novel concept of mixed SAMs is introduced to improve such issues. Here, by means of DFT, we analyze the different responses of NWs functionalized with silanes toward NO2 at different relative humidity. We show that water can modify the response although no direct electronic interaction between water and functionalized NWs is observed.
[1]Adv. Funct. Mater. 2014,24, 595 [2]Adv. Mater.2014, 26, 8017 [3]ACS Sensors 2016, acssensors.6b00508