Owing to their higher intrinsic electrical conductivity and chemical stability with respect to their oxide counterparts, nanostructured metal sulfides are expected to revive materials for resistive chemical sensor app...Owing to their higher intrinsic electrical conductivity and chemical stability with respect to their oxide counterparts, nanostructured metal sulfides are expected to revive materials for resistive chemical sensor applications. Herein, we explore the gas sensing behavior of WS2 nanowire-nanoflake hybrid materials and demonstrate their excellent sensitivity （0.043 ppm-1） as well as high selectivity towards H2S relative to CO, NH~, H2, and NO （with corresponding sensitivities of 0.002, 0.0074, 0.0002, and 0.0046 pprn-1, respectively）. Gas response measurements, complemented with the results of X-ray photoelectron spectroscopy analysis and first-principles calculations based on density functional theory, suggest that the intrinsic electronic properties of pristine WS2 alone are not sufficient to explain the observed high sensitivity towards H2S. A major role in this behavior is also played by O doping in the S sites of the WS2 lattice. The results of the present study open up new avenues for the use of transition metal disulfide nanomaterials as effective alternatives to metal oxides in future applications for industrial process control, security, and health and environmental safety.展开更多
The effects of B and N dopings and H2O adsorption on the structural stability and the field emission properties of cone-capped carbon nanotubes （CCCNTs） were investigated by using the density-functional theoretical ...The effects of B and N dopings and H2O adsorption on the structural stability and the field emission properties of cone-capped carbon nanotubes （CCCNTs） were investigated by using the density-functional theoretical calculation. The adsorption of H2O can increase the structural stability and decrease the gap between the highest occupied molecular orbital and the lowest unoccupied molecular orbital （HOMO-LUMO gap） of the CCCNTs. The strength of total electric field on the top of the H2O-adsorbed CCCNTs is larger than that of the B-doped and the N-doped CCCNTs, electrons will be emitted primarily from the H2O-adsorbed CCCNTs at the same applied voltage. Therefore, the H2O adsorption can lower the threshold voltage for the CCCNTs. While the B and the N dopings produce opposite effects. The HOMO-LUMO gap of the N-doped CCCNTs is the widest among all the gaps of the CCCNTs.展开更多
文摘Owing to their higher intrinsic electrical conductivity and chemical stability with respect to their oxide counterparts, nanostructured metal sulfides are expected to revive materials for resistive chemical sensor applications. Herein, we explore the gas sensing behavior of WS2 nanowire-nanoflake hybrid materials and demonstrate their excellent sensitivity （0.043 ppm-1） as well as high selectivity towards H2S relative to CO, NH~, H2, and NO （with corresponding sensitivities of 0.002, 0.0074, 0.0002, and 0.0046 pprn-1, respectively）. Gas response measurements, complemented with the results of X-ray photoelectron spectroscopy analysis and first-principles calculations based on density functional theory, suggest that the intrinsic electronic properties of pristine WS2 alone are not sufficient to explain the observed high sensitivity towards H2S. A major role in this behavior is also played by O doping in the S sites of the WS2 lattice. The results of the present study open up new avenues for the use of transition metal disulfide nanomaterials as effective alternatives to metal oxides in future applications for industrial process control, security, and health and environmental safety.
基金supported by the National Natural Science Foundation of China(Grant Nos.50771082,60776822,and 11075135)the Natural Science Foundation of Shaanxi Education Department,China(Grant No.09JK807)
文摘The effects of B and N dopings and H2O adsorption on the structural stability and the field emission properties of cone-capped carbon nanotubes （CCCNTs） were investigated by using the density-functional theoretical calculation. The adsorption of H2O can increase the structural stability and decrease the gap between the highest occupied molecular orbital and the lowest unoccupied molecular orbital （HOMO-LUMO gap） of the CCCNTs. The strength of total electric field on the top of the H2O-adsorbed CCCNTs is larger than that of the B-doped and the N-doped CCCNTs, electrons will be emitted primarily from the H2O-adsorbed CCCNTs at the same applied voltage. Therefore, the H2O adsorption can lower the threshold voltage for the CCCNTs. While the B and the N dopings produce opposite effects. The HOMO-LUMO gap of the N-doped CCCNTs is the widest among all the gaps of the CCCNTs.
