Electronic and optical properties of the BN bilayer as gas sensor for CO2, SO2, and NO2 molecules: A DFT study

Transition Metal (Cu, Pd, and Ag)-Modified Nb2S2C Monolayer for Highly Efficient Catechol Sensing: A First-Principles Investigation

“…The relatively low value of adsorption energy and high adsorption distance between the Cc and the monolayer indicates the predominance of strong physisorption. 50 In the pursuit of developing an efficient sensor, it is often desirable that the interaction should be strong enough to retain the Cc on the substrate surface, i.e., a weak chemisorption is often preferred. 51 Therefore, the surface of the Nb 2 S 2 C monolayer is modified with TM functionalization to attain weak chemisorption of the Cc molecule.…”

“…The adsorption energy details the interaction strength between the molecule and the substrate. The relatively low value of adsorption energy and high adsorption distance between the Cc and the monolayer indicates the predominance of strong physisorption . In the pursuit of developing an efficient sensor, it is often desirable that the interaction should be strong enough to retain the Cc on the substrate surface, i.e., a weak chemisorption is often preferred .…”

Investigation of the electronic and optical properties of bilayer CdS as a gas sensor: first-principles calculations

“…The remarkable properties of graphene and its derivatives open up promising avenues in various elds, including optoelectronic devices, catalysts, photocatalysis, transistors, nanoelectromechanical devices, nanoscale devices, gas sensors, and photodetectors. [11][12][13][14][15][16][17][18][19][20] In addition, the research on the gas response in 2D nanomaterials like C 3 N, 21 InN, 22 GaN, 23 TI 2 O, 24 AlN, [25][26][27] SiGe, 28 BN, [29][30][31] GaS, GaSe, 32 silicene, 33 SnSe, 34 BNNTs, 35 InP, 36 and borospherene 37,38 has been developed in recent decades.…”

Two-dimensional Janus X2STe (X = B, Al) monolayers: the effect of surface selectivity and adsorption of small gas molecules on electronic and optical properties

“…4 Sensors are integral to sustainable urban planning, playing a crucial role in data collection for air pollution monitoring and environmental regulation. 5 These devices provide real-time insights into air quality, 6 aiding urban planners in informed decision-making. Additionally, the data they generate form the foundation for evidence-based environmental policies, contributing to the overall goal of creating ecologically sound urban environments.…”