Langmuir 2021 May 7. Epub 2021 May 7.
School of Chemistry and Chemical Engineering, Guangdong Provincial Key Lab for Green Chemical Product Technology, South China University of Technology, Guangzhou 510640, P. R. China.
Recently, MXenes, due to their abundant advantages, have been widely applied in energy storage, separation, catalysis, biosensing, et al. In this study, parallel tempering Monte Carlo and molecular dynamics methods were performed to investigate lysozyme adsorption on different functionalized TiCT (-O, -OH, and -F). The simulation results show that lysozyme can adsorb effectively on TiCT surfaces, and the order of interaction strength is TiCO > TiCF > TiC(OH). Read More