Tunable SO2-sensing performance of arsenene induced by Stone-Wales defects and external electric field

Using first-principles theory, this paper investigates the sensing behavior of the Ru-doped PtSe 2 (Ru-PtSe 2 ) monolayer for two dominant gases, namely, H 2 and C 2 H 2 , in the transformer oil to explore its potential as a gas sensor to evaluate the operation status of the electrical transformers. Ru-doping prefers to go through the S 1 site with the largest E b of −3.71 eV. Chemisorption is identified in the H 2 and C 2 H 2 systems with E ad obtained as −0.83 and − 2.09 eV, respectively, indicating the stronger performance of the Ru-PtSe 2 monolayer upon C 2 H 2 adsorption. Meanwhile, the obvious improvement of bandgap in the C 2 H 2 system suggests the potential of Ru-PtSe 2 monolayer as a resistance-type gas sensor for C 2 H 2 detection. Moreover, the applied biaxial strains ranging at 1−5% give rise to various Q T and E g in two systems, indicating the tunable sensing response of the Ru-PtSe 2 monolayer for gas detection with modulated strains. Our calculation proposes a novel 2D sensing material for H 2 and C 2 H 2 detection, which would be beneficial to stimulate more edge-cutting research in the gas sensing field as well.

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

First-Principle Insight into the Ru-Doped PtSe₂ Monolayer for Detection of H₂ and C₂H₂ in Transformer Oil

Li¹,

Rao²,

Zhang³

et al. 2020

“…The WF reveals the minimum energy required to release an electron from the surface, which impacts the performance of certain nanomaterials to be explored as a field-effect transistor gas sensor. 30 Based on these results, one can identify the potential of the InP 3 monolayer as a field-effect transistor sensor for sensitive and selective detection of SO 2 and SOF 2 , given their obviously opposite changes of WF on the InP 3 surface. 31 However, both methods are not suitable for SO 2 F 2 detection due to the weak response of the InP 3 monolayer upon gas adsorption.…”

Section: Resultsmentioning

confidence: 99%

“…From Figure b, one can see that the WF of the InP 3 monolayer suffers from a great increase after SO 2 adsorption and a more remarkable decrease after SOF 2 adsorption, while an unobvious decrease is determined in the SO 2 F 2 system. The WF reveals the minimum energy required to release an electron from the surface, which impacts the performance of certain nanomaterials to be explored as a field-effect transistor gas sensor . Based on these results, one can identify the potential of the InP 3 monolayer as a field-effect transistor sensor for sensitive and selective detection of SO 2 and SOF 2 , given their obviously opposite changes of WF on the InP 3 surface .…”

Section: Resultsmentioning

confidence: 99%

InP₃ Monolayer as a Promising 2D Sensing Material in SF₆ Insulation Devices

Qin

Luo

et al. 2021

In this letter, we perform a first-principles study on the adsorption performance of the InP3 monolayer upon three SF6 decomposed species, including SO2, SOF2, and SO2F2, to investigate its potential as a resistance-type, optical or field-effect transistor gas sensor. Results indicate that the InP3 monolayer exhibits strong chemisorption upon SO2 but weak physisorption upon SO2F2. The most admirable adsorption behavior is upon SOF2, which provides a favorable sensing response (−19.4%) and recovery property (10.4 s) at room temperature as a resistance-type gas sensor. A high response of 180.7% upon SO2 and a poor one of −1.9% upon SO2F2 are also identified, which reveals the feasibility of the InP3 monolayer as a resistance-type sensor for SO2 detection with recycle use via a heating technique to clean the surface. Moreover, the InP3 monolayer is a promising optical sensor for SO2 detection due to the obvious changes in adsorption peaks within the range of ultraviolet and is a desirable field-effect transistor sensor for selective and sensitive detection of SO2 and SOF2 given the evident changes of Q T and E g under the applied electric field.

“…The nanosensing method for gas detection is a workable manner with advantages of rapid response, high sensitivity, and low cost. − With the exploration of novel 2D materials, numerous candidates are proposed for gas sensing application in many fields. − Recently, the II–VI semiconductor ZnO has attracted remarkable attention, owing to its large surface area and electronic motion . Moreover, the graphene-like ZnO monolayer is explored and has been theoretically investigated with unique electronic and optical properties, , which provides the possibility to explore the ZnO monolayer as a potential chemical sensor for gas detection in many fields.…”

Section: Introductionmentioning

confidence: 99%

Rh-Doped ZnO Monolayer as a Potential Gas Sensor for Air Decomposed Species in a Ring Main Unit: A First-Principles Study

Wang

Yang

et al. 2021

Using the first-principles theory, this paper studies the Rh-doping behavior on the ZnO monolayer and investigates the adsorption and sensing behaviors of a Rh-doped ZnO (Rh–ZnO) monolayer to NO2 and O3 to explore its potential as a gas sensor to evaluate the operation status of the ring main unit in the power system. The results indicate that the Rh dopant can be stably anchored on the TO site of the ZnO monolayer with an E b of −2.11 eV. The Rh–ZnO monolayer shows chemisorption of NO2 and O3, with E ad values of −2.11 and −1.35 eV, respectively. Then, the electronic behavior of the Rh–ZnO monolayer before and after gas adsorption is analyzed in detail to uncover the sensing mechanism for gas detection. Our findings indicate that the Rh–ZnO monolayer is a promising resistance-type gas sensor with a higher response to O3 and can be explored as a field-effect gas sensor with a higher response to NO2. Our theoretical calculations provide the basic sensing mechanism of the Rh–ZnO monolayer for gas detection and would be meaningful to explore novel sensing materials for gas detection in the field of electrical engineering.