Wang Mengjie, Shao Junkai, Liu Hongyan, Qi Yuhang, He Ping, Yue Shengying, Sun Caixuan, Dong Junyi, Pan Guofeng, Yang Xueli
School of Electronics and Information Engineering, Tianjin Key Laboratory of Electronic Materials and Devices, Hebei University of Technology, 5340 Xiping Road, Beichen District, Tianjin 300401, China.
State Key Laboratory for Strength and Vibration of Mechanical Structures, School of Aerospace, Xi'an Jiaotong University, Xi'an 710049, China.
ACS Appl Mater Interfaces. 2023 Feb 9. doi: 10.1021/acsami.2c21169.
In this study, a straightforward two-step hydrothermal process was used to synthesize Fe-doped NiO nanomaterials. A number of characterization approaches were employed to explore the structure and morphology of the synthesized Fe-doped NiO. The as-prepared samples were multi-layered flower-like structures formed by nanoparticles, according to scanning electron microscopy and transmission electron microscopy studies. The findings of the study on gas sensing performance showed that the response of the 1.5 at % Fe-NiO sensor was nearly 100 times greater than that of the pure NiO sensor, and the lower limit of detection was greatly decreased (50 ppb). The 1.5 at % Fe-NiO sensor exhibited superior sensing performance for -butanol. The incorporation of an appropriate amount of Fe into the NiO lattice modified the carrier concentration, which is the primary cause of the increased sensor performance of an appropriate amount of Fe-doped NiO. In addition, the density functional theory calculation method based on the first-principles theory was used to study the adsorption performance and electronic behavior of pure NiO and 1.5 at % Fe-NiO for -butanol. The calculated results were consistent with the experimental results.
在本研究中，采用了一种简单的两步水热法来合成铁掺杂的氧化镍纳米材料。采用了多种表征方法来探究合成的铁掺杂氧化镍的结构和形态。根据扫描电子显微镜和透射电子显微镜研究，所制备的样品是由纳米颗粒形成的多层花状结构。气敏性能研究结果表明，1.5原子%铁掺杂氧化镍传感器的响应几乎比纯氧化镍传感器大100倍，检测下限大幅降低（50 ppb）。1.5原子%铁掺杂氧化镍传感器对正丁醇表现出优异的传感性能。向氧化镍晶格中掺入适量的铁改变了载流子浓度，这是适量铁掺杂氧化镍传感器性能提高的主要原因。此外，基于第一性原理理论的密度泛函理论计算方法被用于研究纯氧化镍和1.5原子%铁掺杂氧化镍对正丁醇的吸附性能和电子行为。计算结果与实验结果一致。
