G. M. Dalpian

Evaluating the Stability of 2D Compounds: Effects of Temperature, Mechanical Support and Vibrational Degrees of Freedom

The thermodynamic stability of two-dimensional (2D) materials remains a critical bottleneck in their synthesis and practical application. While Density Functional Theory (DFT) has revolutionized the characterization of these systems, standard 0 K computational protocols often overlook the complex interplay between ther...