Lattice thermal conductivity and mechanical properties of the single-layer penta-NiN 2 explored by a deep-learning interatomic potential

Pedram Mirchi (1) , Christophe Adessi (2) , Samy Merabia (3) , Ali Rajabpour (1)

1 IKIU - Imam Khomeini International University
2 iLM - ENERGIE - iLM - Transport, Nanomagnétisme et Matériaux pour l'Énergie
3 iLM - MMCI - iLM - Modélisation de la matière condensée et des interfaces

Penta-NiN 2 , a novel pentagonal 2D sheet with potential nanoelectronic applications, is investigated in terms of its lattice thermal conductivity, stability, and mechanical behavior.

Domains: Physics [physics]

Pedram Mirchi, Christophe Adessi, Samy Merabia, Ali Rajabpour. Lattice thermal conductivity and mechanical properties of the single-layer penta-NiN 2 explored by a deep-learning interatomic potential. Physical Chemistry Chemical Physics, 2024, ⟨10.1039/D4CP00997E⟩. ⟨hal-04570594⟩