Open access
Jul 2026
Validated Reactive Force Field Quantifies MXene Interfacial Properties, Mechanics, and Thermal Transport
MXenes combine rich surface chemistry, mechanical strength, and high conductivity for a multitude of emerging applications. Predictive modeling supports accelerated materials designs and has been limited by the absence of validated and transferable force fields. Here, we introduce an interpretable, reactive INTERFACE f...
Isaac W. Armstrong, J. Slocik, L. Beck et al.
· ACS Nano · 1 citation