Mohammad Mehdi Kiani, Hakimeh Mostafavi, Fatemeh Ebrahimi, Reza Majdzadeh, Efat Mohamadi, Alexander Kraemer, Alireza Olyaeemanesh, Amirhossein Takian
The experiences and perceptions of people with chronic and rare diseases during political-economic sanctions in Iran: a qualitative study
BMC health services research
mxenes attracted substantial attention various applications energy storage sensors catalysts experimental exploration mxenes hybrid terminal surfaces offers unique means property tailoring crucial expanding performance space mxenes wherein formation energy mxene mixed surface terminals plays key role determining relative stability practical applications however challenge identifying energetically stable mxenes multifunctional surfaces persists primarily due absence precise surface modification experiments vast structural space dft calculations herein use allfixed transfer aft framework combined firstprinciples calculations predict formation energies mxenes terminated binary elements groups via viia trained model exhibits high average r2 099 maintaining transferability accuracy predicting larger supercells smallersized mxenes datasets despite structural imbalance training prediction sets underlying interpretation high accuracy revealed capture main attributes comparison node features additionally important mention factors influencing average formation energy include types element pairs ratio terminal groups distribution terminations two surfaces first one dominant finally successfully streamline diverse structural cardinality large hybrid terminated mxene space 700 million thereby facilitating rapid screening top 5 stable mxene classes binary terminal elements fo fcl fbr fs fse besides scenarios lithium storage tlpredicted mxene enhance relative stability increasing fluorine ratio capacity optimized different surface group combinations results indicate aft framework advantages screening functional mxenes huge structure space smaller imbalanced data sets