Rui-Qian Guo

A first-principles investigation of the intrinsic electronic properties and strain engineering in two-dimensional few-layer noble metals.

In this work, first-principles calculations based on density functional theory (DFT) and ab initio molecular dynamics (AIMD) are performed to systematically examine the structural stability, electronic properties, and strain responses of two-dimensional Au, Ag, and Cu few-layers. The calculated binding energies, phonon...