Highly Selective SAM-Nanowire Hybrid NO2 Sensor: Insight into Charge Transfer Dynamics and Alignment of Frontier Molecular Orbitals

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