Researchers develop modeling and design of chemical gas sensor arrays

[ Instrument Network Instrument R & D ] It is reported that recently, Li Qiliang, a professor of electrical and computer engineering at Volgenau Institute of Technology, and Dr. Mason are using multiple regression analysis to model, simulate, calculate and design gas sensor arrays. Their goal is to provide an effective simulation technique to design high-performance gas sensors and sensor arrays.

Qiliang Li will lead the research activities of the project. He will be responsible for the modeling and design of gas sensor equipment and arrays, and provide suggestions for the simulation and optimization of equipment models for graduate students. Doctoral students (TBD) will work on the modeling and simulation of gas sensors. Students will design the structural and electrical characteristics of the sensor device. They will also simulate and optimize the sensor array design.

The project's work will include two tasks. First, the researchers will model the physical and chemisorption of gas molecules on the sensor surface. In the real environment, chemical sensors often produce an electrochemical or optoelectronic response to the complex effects of the target chemical and the environment. Therefore, it is important for researchers to identify the interference of target chemicals on the surrounding environment and the atmosphere. Therefore, the physical and chemical adsorption of target gas molecules on different sensor surfaces should be accurately simulated.

For this step, researchers will apply first-principles calculations and the effect of density functional theory (DFT) on the absorption process and its effect on carrier density, band structure, surface potential, and other electrochemical properties of sensing materials and equipment. The effects of nature are modeled. First-principles calculation is a method based on the principles of quantum mechanics to directly calculate physical properties from basic physical quantities (such as mass and charge); density functional theory is a computational quantum mechanics modeling method used to study multibody systems (especially Atoms, molecules, and condensed phases).

For modeling of absorption processes, detailed information on gas molecules will be explored and classified, including molecular structure, polarization, magnetic moment, and charge distribution and their effects, to assist in the design of sensor devices and arrays.

Second, they will model the impact of environmental variables. Changes in temperature, humidity, oxygen, and other gases can have a significant effect on induction, so their effects should be calculated accurately. For this part of the study, the following two methods will be used to study the impact of the environment on sensing: simulate how environmental factors affect the interaction between gas molecules and sensors, and analyze the effect of gas absorption on the noise spectrum.