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This work presents a more realistic study on the potential of titanium carbide MXene (Ti3C2T x ) for gas sensing, by employing first principle calculations. The effects of different ratios of different functional groups on the adsorption of NH3, NO, NO2, N2O, CO, CO2, CH4, and H2S gas molecules on Ti3C2T x were analyzed. The results indicated that Ti3C2T x is considerably more sensitive to NH3, among the studied gas molecules, with a charge transfer of −0.098 e and an adsorption energy of −0.36 eV. By analyzing the electrostatic surface potential (ESP) and the projected density of states (PDOS), important physical and mechanical properties that determine the strength and nature of gas-substrate interactions were investigated, and also, the significant role of electrostatic effects on the charge transfer mechanism was revealed. Further, the Bader charge analysis for the closest oxygen and fluorine atoms to NH3 molecule showed that oxygen atoms have 60% to 180% larger charge transfer than fluorine atoms, supporting that Ti3C2T x substrate with a relatively lower ratio of fluorine surface terminations has a stronger interaction with NH3 gas molecules. The calculations show that in the presence of water molecules, approximately 90% smaller charge transfer between NH3 molecule and the Ti3C2T x occurs. Ab initio molecular dynamics simulations (AIMD) were also carried out to evaluate the thermal stabilities of Mxenes. The comprehensive study presented in this work provides insights and paves the way for realizing sensitive NH3 sensors based on Ti3C2T x that can be tuned by the ratio of surface termination groups.

A method for manufacturing a cylindrical dielectric elastomer actuator (DEA) is presented. The cylindrical DEA can be used in fabricating the cuff area of dry-suits where the garment is very tight and wearing the suit is difficult. When electrically actuated, the DEA expands radially and the suit can be worn more comfortably. In order to study the performance of the DEA, a customized testing setup was designed, and silicone-made cuff samples with different material stiffnesses were tested. Analytical and FEM modeling were considered to evaluate the experimental output. The results revealed that although the stiffness of the DEA material has a direct relationship with the radial constrictive pressure caused by mechanically stretching the DEA, it has a minor effect on the actuation pressure. It was also found that stacking multiple layers of the DEA to fabricate a laminated structure enabled the attainment of a desired variation of pressure required for the implementation of an electrically tunable cuff.

‎Van der Waals layered α-In2Se3 has shown out-of-plane ferroelectricity down to the bilayer and monolayer thicknesses at room temperature that can be switched by an applied electric field‎. ‎This work...

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