Recent advances in density functional theory approach for optoelectronics properties of graphene

AL Olatomiwa, T Adam, CO Edet, AA Adewale, A Chik… - Heliyon, 2023 - cell.com
Graphene has received tremendous attention among diverse 2D materials because of its
remarkable properties. Its emergence over the last two decades gave a new and distinct …

Perovskenes: two-dimensional perovskite-type monolayer materials predicted by first-principles calculations

M Naseri, S Amirian, M Faraji, MA Rashid… - Physical Chemistry …, 2024 - pubs.rsc.org
Inspired by the successful transfer of freestanding ultrathin films of SrTiO3 and BiFeO3 onto
various substrates without any thickness limitation, in this study, using density functional …