A DFT study of NO2 and SO2 gas-sensing properties of InX (X = Cl, Br and I) monolayers
Source abstract
Abstract
Gas sensors have attracted much attentions due to their applications for alarming dangerous gases. It is important for a gas sensor to find out suitable sensing materials realizing its performance. Two-dimensional materials with high surface-to-volume ratios are ideal candidates acting as gas-sensing materials. Here, we report NO2 and SO2 gas-sensing properties of InX (X = Cl, Br, and I) monolayers based on density functional theory calculations. The perfect monolayers are more sensitive to NO2 molecule than SO2, but have long recovery time for NO2, which can be amended by applying external in-plane tensile stress. Therefore, these monolayers with the tensile stress are good materials for detecting NO2 gas. In addition, the sensitivity of monolayers to detect the SO2 molecule can be significantly improved by introducing In vacancies into these monolayers.
Source: openaire · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: Gas Sensing Nanomaterials and Sensors · 2D Materials and Applications · Advanced Thermoelectric Materials and Devices
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
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