Surface functionalization of 2D MXenes: trends in distribution, composition, and electronic properties R Ibragimova, P Erhart, P Rinke, HP Komsa The journal of physical chemistry letters 12 (9), 2377-2384, 2021 | 149 | 2021 |
pH-Dependent Distribution of Functional Groups on Titanium-Based MXenes R Ibragimova, MJ Puska, HP Komsa ACS nano 13 (8), 9171-9181, 2019 | 108 | 2019 |
Native vacancy defects in MXenes at etching conditions R Ibragimova, P Rinke, HP Komsa Chemistry of Materials 34 (7), 2896-2906, 2022 | 48 | 2022 |
Self-organized twist-heterostructures via aligned van der Waals epitaxy and solid-state transformations P Sutter, R Ibragimova, HP Komsa, BA Parkinson, E Sutter Nature Communications 10 (1), 5528, 2019 | 32 | 2019 |
First-principles study of SnS electronic properties using LDA, PBE and HSE06 functionals R Ibragimova, M Ganchenkova, S Karazhanov, ES Marstein Philosophical Magazine 98 (8), 710-726, 2018 | 26 | 2018 |
Fermiology of two-dimensional titanium carbide and nitride MXenes M Bagheri, R Ibragimova, HP Komsa Physical Review B 104 (3), 035408, 2021 | 15 | 2021 |
First principles study of the stability of MXenes under an electron beam R Ibragimova, ZP Lv, HP Komsa Nanoscale Advances 3 (7), 1934-1941, 2021 | 6 | 2021 |
Experiment-Driven Atomistic Materials Modeling: A Case Study Combining X-Ray Photoelectron Spectroscopy and Machine Learning Potentials to Infer the Structure of Oxygen-Rich … T Zarrouk, R Ibragimova, AP Bartók, MA Caro Journal of the American Chemical Society, 2024 | 4 | 2024 |
Experiment-driven atomistic materials modeling: A case study combining XPS and ML potentials to infer the structure of oxygen-rich amorphous carbon T Zarrouk, R Ibragimova, AP Bartók, MA Caro arXiv preprint arXiv:2402.03219, 2024 | 1 | 2024 |
Unifying the description of hydrocarbons and hydrogenated carbon materials with a chemically reactive machine learning interatomic potential R Ibragimova, MS Kuklin, T Zarrouk, MA Caro arXiv preprint arXiv:2409.08194, 2024 | | 2024 |
On the surface: Effects of functionalization and defects in two-dimensional MXenes R Ibragimova Aalto University, 2022 | | 2022 |
Surface Functionalization of 2D MXenes R Ibragimova, P Erhart, P Rinke, HP Komsa AMERICAN CHEMICAL SOCIETY, 2021 | | 2021 |
Different MXenes but the same surface R Ibragimova, P Rinke, HP Komsa APS March Meeting Abstracts 2021, C57. 001, 2021 | | 2021 |