2017
Miranda, A.; Santiago, F.; Pérez, L. A.; Cruz-Irisson, M.
Silicon nanowires as potential gas sensors: A density functional study Artículo de revista
En: Sensors and Actuators B: Chemical, vol. 242, pp. 1246-1250, 2017, ISSN: 0925-4005.
Resumen | Enlaces | BibTeX | Etiquetas: Density Functional Theory, Gas sensing, Molecular adsorption, Silicon nanowires
@article{MIRANDA20171246,
title = {Silicon nanowires as potential gas sensors: A density functional study},
author = {A. Miranda and F. Santiago and L. A. P\'{e}rez and M. Cruz-Irisson},
url = {https://www.sciencedirect.com/science/article/pii/S0925400516315106},
doi = {https://doi.org/10.1016/j.snb.2016.09.085},
issn = {0925-4005},
year = {2017},
date = {2017-01-01},
urldate = {2017-01-01},
journal = {Sensors and Actuators B: Chemical},
volume = {242},
pages = {1246-1250},
abstract = {Silicon nanowires (SiNWs) have chemical sensitivity to molecules such as NH3 and NO2. Yet, SiNWs have not been considered for sensing harmful gases such as CO, CO2, NO, SO2, and HCN. In this work, we theoretically address the capability of SiNWs, grown along the [111] crystallographic direction and with a diameter of 1.5nm, as molecular sensors to detect these gases. The density functional theory calculations indicate that CO, NO, NO2, and SO2 molecules can be adsorbed on the SiNWs surface with energies ranging from 0.07eV to 3.41eV. However, we have also found that SiNWs are not good candidates for sensing CO2 and HCN molecules.},
keywords = {Density Functional Theory, Gas sensing, Molecular adsorption, Silicon nanowires},
pubstate = {published},
tppubtype = {article}
}
Silicon nanowires (SiNWs) have chemical sensitivity to molecules such as NH3 and NO2. Yet, SiNWs have not been considered for sensing harmful gases such as CO, CO2, NO, SO2, and HCN. In this work, we theoretically address the capability of SiNWs, grown along the [111] crystallographic direction and with a diameter of 1.5nm, as molecular sensors to detect these gases. The density functional theory calculations indicate that CO, NO, NO2, and SO2 molecules can be adsorbed on the SiNWs surface with energies ranging from 0.07eV to 3.41eV. However, we have also found that SiNWs are not good candidates for sensing CO2 and HCN molecules.
