Shedding Light on Miniaturized Dialysis Using MXene 2D Materials: A Computational Chemistry Approach.

摘要: Materials science can pave the way toward developing novel devices at service of human life. In recent years, computational materials engineering has been promising in predicting material performance prior to experiments. Herein, this capability carefully employed tackle severe problems associated with kidney diseases through proposing nanolayers adsorb urea and accordingly causing wearable artificial (WAK) be viable. The two-dimensional metal carbide nitride (MXene) nanosheets leverage various since they are highly tunable along fascinating surface chemistry properties. study, molecular dynamics (MD) simulations were exploited investigate interactions between different MXene nanosheets. To end, detailed analyses performed that clarify suitability these nanostructures adsorption. atomistic carried out on Mn2C, Cd2C, Cu2C, Ti2C, W2C, Ta2C, determine most appropriate urea-removing adsorbent. It was found Cd2C more efficient followed by which effectively WAK health.