TY - JOUR
T1 - Sensing performance and mechanism of Fe-doped ZnO microflowers
AU - Bai, Shouli
AU - Guo, Teng
AU - Zhao, Yangbo
AU - Sun, Jianhua
AU - Li, Dianqing
AU - Chen, Aifan
AU - Liu, Chung Chiun
N1 - Funding Information:
The work was supported by the National Natural Science Foundation of China (Grant Nos. 51072014 , 21177007 and 51372013 ), the Beijing Natural Science Foundation (Grant No. 8112022 ) and Beijing Key Laboratory of Environmentally Harmful Chemicals Analysis .
PY - 2014/5
Y1 - 2014/5
N2 - Fe-doped ZnO microflowers have been hydrothermally synthesized without any surfactant at 120 C for 10 h. The characteristics of products were examined by XRD, SEM, TG-DTA and XPS. The sensing tests reveal that the response is significantly enhanced by Fe doping, and the 3.0 wt%-Fe doped sample exhibits the highest response of 604 to 10 ppm NO2 at lower operating temperature of 125 C. The intrinsic sensing characteristic is attributed to be native defects in ZnO, which has been confirmed by room temperature photoluminescence PL and XPS analysis. The response time is reduced disproportionately with the increase in NO2 concentration by modeling transient responses of the sensor using L-H reaction mechanism. The band structures and densities of states for undoped ZnO and two Fe-doped supercells of Zn0.9815Fe0.0185O and Zn0.9583Fe 0.0417O have been calculated using the first-principles based on the density functional theory (DFT). The calculated results show that the band gap is significantly narrowed and the conductance is increased by Fe doping, which coincide with that of experimental results of gas sensing.
AB - Fe-doped ZnO microflowers have been hydrothermally synthesized without any surfactant at 120 C for 10 h. The characteristics of products were examined by XRD, SEM, TG-DTA and XPS. The sensing tests reveal that the response is significantly enhanced by Fe doping, and the 3.0 wt%-Fe doped sample exhibits the highest response of 604 to 10 ppm NO2 at lower operating temperature of 125 C. The intrinsic sensing characteristic is attributed to be native defects in ZnO, which has been confirmed by room temperature photoluminescence PL and XPS analysis. The response time is reduced disproportionately with the increase in NO2 concentration by modeling transient responses of the sensor using L-H reaction mechanism. The band structures and densities of states for undoped ZnO and two Fe-doped supercells of Zn0.9815Fe0.0185O and Zn0.9583Fe 0.0417O have been calculated using the first-principles based on the density functional theory (DFT). The calculated results show that the band gap is significantly narrowed and the conductance is increased by Fe doping, which coincide with that of experimental results of gas sensing.
KW - Fe-doped ZnO microflowers
KW - First-principle calculations
KW - Gas sensing
KW - Langmuir-Hinshelwood reaction mechanism
KW - NO
UR - http://www.scopus.com/inward/record.url?scp=84894665017&partnerID=8YFLogxK
U2 - 10.1016/j.snb.2014.01.083
DO - 10.1016/j.snb.2014.01.083
M3 - 期刊論文
AN - SCOPUS:84894665017
SN - 0925-4005
VL - 195
SP - 657
EP - 666
JO - Sensors and Actuators, B: Chemical
JF - Sensors and Actuators, B: Chemical
ER -