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结合实验与密度泛函理论计算的TiO气体传感器:综述

TiO Gas Sensors Combining Experimental and DFT Calculations: A Review.

作者信息

Yan Zirui, Zhang Yaofang, Kang Weimin, Deng Nanping, Pan Yingwen, Sun Wei, Ni Jian, Kang Xiaoying

机构信息

State Key Laboratory of Separation Membranes and Membrane Processes, Tiangong University, Tianjin 300387, China.

School of Physical Science and Technology, Tiangong University, Tianjin 300387, China.

出版信息

Nanomaterials (Basel). 2022 Oct 14;12(20):3611. doi: 10.3390/nano12203611.

DOI:10.3390/nano12203611
PMID:36296801
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC9607066/
Abstract

Gas sensors play an irreplaceable role in industry and life. Different types of gas sensors, including metal-oxide sensors, are developed for different scenarios. Titanium dioxide is widely used in dyes, photocatalysis, and other fields by virtue of its nontoxic and nonhazardous properties, and excellent performance. Additionally, researchers are continuously exploring applications in other fields, such as gas sensors and batteries. The preparation methods include deposition, magnetron sputtering, and electrostatic spinning. As researchers continue to study sensors with the help of modern computers, microcosm simulations have been implemented, opening up new possibilities for research. The combination of simulation and calculation will help us to better grasp the reaction mechanisms, improve the design of gas sensor materials, and better respond to different gas environments. In this paper, the experimental and computational aspects of TiO2 are reviewed, and the future research directions are described.

摘要

气体传感器在工业和生活中发挥着不可替代的作用。包括金属氧化物传感器在内的不同类型的气体传感器针对不同场景而开发。二氧化钛凭借其无毒无害的特性和优异的性能,在染料、光催化等领域得到广泛应用。此外,研究人员不断探索其在其他领域的应用,如气体传感器和电池。制备方法包括沉积、磁控溅射和静电纺丝。随着研究人员借助现代计算机持续研究传感器,微观模拟得以实现,为研究开辟了新的可能性。模拟与计算的结合将有助于我们更好地掌握反应机理,改进气体传感器材料的设计,并更好地应对不同的气体环境。本文综述了二氧化钛的实验和计算方面,并描述了未来的研究方向。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0ae1/9607066/b19d7a499294/nanomaterials-12-03611-g010.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0ae1/9607066/14abf4a85b38/nanomaterials-12-03611-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0ae1/9607066/e6972a0e1dcf/nanomaterials-12-03611-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0ae1/9607066/f81331ceb8f6/nanomaterials-12-03611-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0ae1/9607066/6dfb68f25eed/nanomaterials-12-03611-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0ae1/9607066/60542d153202/nanomaterials-12-03611-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0ae1/9607066/1e3921708722/nanomaterials-12-03611-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0ae1/9607066/99b33a4df761/nanomaterials-12-03611-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0ae1/9607066/20c9e616bd7d/nanomaterials-12-03611-g008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0ae1/9607066/89132ff703fb/nanomaterials-12-03611-g009.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0ae1/9607066/b19d7a499294/nanomaterials-12-03611-g010.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0ae1/9607066/14abf4a85b38/nanomaterials-12-03611-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0ae1/9607066/e6972a0e1dcf/nanomaterials-12-03611-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0ae1/9607066/f81331ceb8f6/nanomaterials-12-03611-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0ae1/9607066/6dfb68f25eed/nanomaterials-12-03611-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0ae1/9607066/60542d153202/nanomaterials-12-03611-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0ae1/9607066/1e3921708722/nanomaterials-12-03611-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0ae1/9607066/99b33a4df761/nanomaterials-12-03611-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0ae1/9607066/20c9e616bd7d/nanomaterials-12-03611-g008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0ae1/9607066/89132ff703fb/nanomaterials-12-03611-g009.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0ae1/9607066/b19d7a499294/nanomaterials-12-03611-g010.jpg

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