Development and Application of a ReaxFF Reactive Force Field for Ni-Doped MoS${}_2$

Karen Mohammadtabar, Enrique Guerrero, Sergio Romero Garcia +4

The properties of $\mathrm{Mo}{\mathrm{S}}_2$ can be tuned or optimized through doping. In particular, Ni doping has been shown to improve the performance of $\mathrm{Mo}{\mathrm{S}}_2$ for various appl…