(189cj) Understanding Reaction and Transport in External Electric Fields with Molecular Simulations

External electric fields may directly affect the transfer of electrons and the movement of charged particles, Therefore, the control mechanism of external electric fields on chemical reaction and transport has been one of areas which receives lots of attentions. In this presentation, we will use molecular dynamics to investigate the control mechanism of external electric fields. The molecular simulations will base on classic or ReaxFF force fields. We will examine how electric fields will affect the growth of dendrites in Lithium metal batteries. We will also try to obtain molecular insights about how electric fields affect the oxidation of xylene. Experimental studies related to the simulations will also be discussed to verify simulation results.