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Sensors: Highly Selective SAM–Nanowire Hybrid NO 2 Sensor: Insight into Charge Transfer Dynamics and Alignment of Frontier Molecular Orbitals (Adv. Funct. Mater. 5/2014)
Author(s) -
Hoffmann Martin W. G.,
Prades Joan Daniel,
Mayrhofer Leonhard,
HernandezRamirez Francisco,
Järvi Tommi T.,
Moseler Michael,
Waag Andreas,
Shen Hao
Publication year - 2014
Publication title -
advanced functional materials
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 6.069
H-Index - 322
eISSN - 1616-3028
pISSN - 1616-301X
DOI - 10.1002/adfm.201470026
Subject(s) - materials science , nanowire , monolayer , charge (physics) , density functional theory , nanotechnology , semiconductor , atomic orbital , mechanism (biology) , chemical physics , molecular orbital , optoelectronics , molecule , computational chemistry , physics , electron , chemistry , quantum mechanics
An ultra‐selective NO 2 sensor is designed and realized by J. D. Prades, H. Shen, and co‐workers based on self‐assembled monolayer (SAM)‐modified semiconductor nanowires (NWs). On page 595, consistent experimental sensing evaluations on different gases and density functional theory (DFT) simulations on the sensing mechanism of the complex NW‐SAM‐gas systems are presented. The resulting insight into the charge transfer mechanism depicts a theoretical route to develop highly selective hybrid gas sensors.