Different electronic sensitivity of BN and AlN nanoclusters to SO2 gas: DFT studies

作者: Maziar Noei

DOI: 10.1016/J.VACUUM.2016.10.029

关键词:

摘要: … B 12 N 12 nanoclusters to SO 2 gas by means of density functional theory calculations. Our main concern is to find a nanostructure which can detect this gas in its pristine form without …

参考文章(80)
AL Petranovska, NV Abramov, SP Turanska, PP Gorbyk, AN Kaminskiy, NV Kusyak, None, Adsorption of cis -dichlorodiammineplatinum by nanostructures based on single-domain magnetite journal of nanostructure in chemistry. ,vol. 5, pp. 275- 285 ,(2015) , 10.1007/S40097-015-0159-9
Hyunju Chang, Jae Do Lee, Seung Mi Lee, Young Hee Lee, Adsorption of NH3 and NO2 molecules on carbon nanotubes Applied Physics Letters. ,vol. 79, pp. 3863- 3865 ,(2001) , 10.1063/1.1424069
Jan Andzelm, Niranjan Govind, Amitesh Maiti, Nanotube-based gas sensors - role of structural defects Chemical Physics Letters. ,vol. 421, pp. 58- 62 ,(2006) , 10.1016/J.CPLETT.2005.12.099
S. Basu, P. Bhattacharyya, Recent developments on graphene and graphene oxide based solid state gas sensors Sensors and Actuators B-chemical. ,vol. 173, pp. 1- 21 ,(2012) , 10.1016/J.SNB.2012.07.092
Chanukorn Tabtimsai, Vithaya Ruangpornvisuti, Banchob Wanno, Density functional theory investigation of the VIIIB transition metal atoms deposited on (5,5) single-walled carbon nanotubes Physica E-low-dimensional Systems & Nanostructures. ,vol. 49, pp. 61- 67 ,(2013) , 10.1016/J.PHYSE.2013.01.019
Zun-Yi Deng, Jian-Min Zhang, Ke-Wei Xu, First-principles study of SO2 molecule adsorption on the pristine and Mn-doped boron nitride nanotubes Applied Surface Science. ,vol. 347, pp. 485- 490 ,(2015) , 10.1016/J.APSUSC.2015.04.116
Chunyang Peng, H. Bernhard Schlegel, Combining Synchronous Transit and Quasi-Newton Methods to Find Transition States Israel Journal of Chemistry. ,vol. 33, pp. 449- 454 ,(1993) , 10.1002/IJCH.199300051
Chunyi Zhi, Yoshio Bando, Chengchun Tang, Dmitri Golberg, Boron nitride nanotubes ieee international nanoelectronics conference. ,vol. 70, pp. 92- 111 ,(2010) , 10.1016/J.MSER.2010.06.004
Javad Beheshtian, Ali Ahmadi Peyghan, M. Noei, Sensing behavior of Al and Si doped BC3 graphenes to formaldehyde Sensors and Actuators B-chemical. ,vol. 181, pp. 829- 834 ,(2013) , 10.1016/J.SNB.2013.02.086