Physisorption behaviors of deoxyribonucleic acid nucleobases and base pairs on bismuthene from theoretical insights

Defective Diamane: A Superior Sensor for Toxic Gases Capture and Detection with Excellent Selectivity, Sensitivity, and Reversibility at Room Temperature

“…A recyclable sensor is supposed to return to its original state within an appropriate recovery time (τ). According to the transition state theory, τ is calculated following the formula: τ = ν −1 e − E ad / k T where ν is the attempt frequency (determined as 10 12 s –1 ) . From the equation, a large | E ad | value indicates the difficulty in desorbing gas molecules from the sensing material.…”

Cu- and Al-Decorated Monolayer TiSe2 for Enhanced Gas Detection Sensitivity: A DFT Study

“…The recovery time of the gas molecule is estimated by the following equation: τ = ω − 1 nobreak0em0.1em⁡ exp ( − E normala normald normals k normalB T ) where ω (=10 12 s –1 ) refers to the attempted frequency, E ads refers to the adsorption energy of gas, k B (=8.62 × 10 –5 eV/K) refers to the Boltzmann constant, and T (300 and 500 K) refers to the absolute temperature …”

Adsorption Behavior of Dissolved Gas Molecules in Transformer Oil on Rh Modified GeSe Monolayer

“…According to the dimension classification, nanoelectronic materials can be divided into low-dimensional structures (zero-dimensional, one-dimensional, two-dimensional) and high-dimensional structures (three-dimensional). − Among them, two-dimensional nanoelectronic materials such as graphene, boron nitride, molybdenum disulfide, and germanium selenide have become a research hotspot in the field of gas sensing due to their large specific surface area, excellent electrical properties, and excellent mechanical properties. − These two-dimensional nanoelectronic materials have strong interactions with the adsorbed gas, making their electrical properties more susceptible to physical or chemical adsorption. Among them, GeSe as a new p-type semiconductor with about 1.0 eV has attracted the attention of researchers in the field of gas sensing. − In addition, GeSe also has the advantages of good stability, abundant reserves, and no pollution to the environment, which can become a large-scale prepared gas sensing material for the future. − However, due to the limitation of physical and chemical properties of intrinsic GeSe, its gas sensing monitoring sensitivity is low, the gas sensing response speed is slow, and the selectivity is poor. To solve the above problems, researchers used a variety of physical and chemical methods, including mechanical deformation, organic functional group modification, and metal modification, to modify its microstructure to improve its gas sensing properties. − Among them, the noble metal doping method can effectively improve the response value and selectivity of gas sensing materials by reducing the reaction energy barrier between gas sensing and the target gas and increasing the percentage of activated molecules.…”