Energetic stability of free-standing and metal-supported borophenes: Quantum monte carlo and density functional theory calculations J Ahn, I Hong, G Lee, H Shin, A Benali, Y Kwon
The Journal of Physical Chemistry C 124 (44), 24420-24428, 2020
11 2020 Metastable Metallic Phase of a Bilayer Blue Phosphorene Induced by Interlayer Bonding and Intralayer Charge Redistributions J Ahn, I Hong, G Lee, H Shin, A Benali, Y Kwon
The Journal of Physical Chemistry Letters 12 (45), 10981-10986, 2021
8 2021 Adsorption of a single Pt atom on graphene: spin crossing between physisorbed triplet and chemisorbed singlet states J Ahn, I Hong, G Lee, H Shin, A Benali, Y Kwon
Physical Chemistry Chemical Physics 23 (38), 22147-22154, 2021
7 2021 Symmetry-changing commensurate-incommensurate solid transition in the monolayer on 6,6,12-graphyne J Ahn, M You, G Lee, T Volkoff, Y Kwon
Physical Review B 99 (2), 024113, 2019
6 2019 Hydrogen separation with a graphenylene monolayer: Diffusion Monte Carlo study G Lee, I Hong, J Ahn, H Shin, A Benali, Y Kwon
The Journal of Chemical Physics 157 (14), 2022
4 2022 Structural Stability of Graphene-Supported Pt Layers: Diffusion Monte Carlo and Density Functional Theory Calculations J Ahn, I Hong, G Lee, H Shin, A Benali, JT Krogel, Y Kwon
The Journal of Physical Chemistry C 127 (37), 18630-18640, 2023
3 2023 Stacking Polymorphism of PtSe : Its Implication to Layer-dependent Metal-insulator Transitions J Ahn, I Hong, G Lee, H Shin, A Benali, Y Kwon, JT Krogel
arXiv preprint arXiv:2408.10156, 2024
2024 Interplay between interlayer hybridization and van der Waals interactions in phase stability and interlayer coupling of bilayer PtSe2 J Ahn, I Hong, G Lee, H Shin, A Benali, J Krogel, Y Kwon
Bulletin of the American Physical Society, 2024
2024