| Two-dimensional transition metal dichalcogenides under electron irradiation: defect production and doping HP Komsa, J Kotakoski, S Kurasch, O Lehtinen, U Kaiser, ... Physical Review Letters 109 (3), 035503, 2012 | 1266 | 2012 |
| Effects of confinement and environment on the electronic structure and exciton binding energy of MoS 2 from first principles HP Komsa, AV Krasheninnikov Physical Review B 86 (24), 241201, 2012 | 763 | 2012 |
| Native defects in bulk and monolayer MoS 2 from first principles HP Komsa, AV Krasheninnikov Physical Review B 91 (12), 125304, 2015 | 596 | 2015 |
| From point to extended defects in two-dimensional MoS 2: Evolution of atomic structure under electron irradiation HP Komsa, S Kurasch, O Lehtinen, U Kaiser, AV Krasheninnikov Physical Review B 88 (3), 035301, 2013 | 562 | 2013 |
| Electronic structures and optical properties of realistic transition metal dichalcogenide heterostructures from first principles HP Komsa, AV Krasheninnikov Physical Review B 88 (8), 085318, 2013 | 537 | 2013 |
| Finite-size supercell correction schemes for charged defect calculations HP Komsa, TT Rantala, A Pasquarello Physical Review B 86 (4), 045112, 2012 | 533 | 2012 |
| Single-Layer ReS2: Two-Dimensional Semiconductor with Tunable In-Plane Anisotropy YC Lin, HP Komsa, CH Yeh, T Björkman, ZY Liang, CH Ho, YS Huang, ... ACS nano 9 (11), 11249-11257, 2015 | 451 | 2015 |
| Two-Dimensional Transition Metal Dichalcogenide Alloys: Stability and Electronic Properties HP Komsa, AV Krasheninnikov The Journal of Physical Chemistry Letters 3 (23), 3652-3656, 2012 | 405 | 2012 |
| Properties of Individual Dopant Atoms in Single‐Layer MoS2: Atomic Structure, Migration, and Enhanced Reactivity YC Lin, DO Dumcenco, HP Komsa, Y Niimi, AV Krasheninnikov, ... Advanced Materials 26 (18), 2857-2861, 2014 | 347 | 2014 |
| Binding energies of exciton complexes in transition metal dichalcogenide monolayers and effect of dielectric environment I Kylänpää, HP Komsa Physical Review B 92 (20), 205418, 2015 | 323 | 2015 |
| Atomic Scale Microstructure and Properties of Se-Deficient Two-Dimensional MoSe2 O Lehtinen, HP Komsa, A Pulkin, MB Whitwick, MW Chen, T Lehnert, ... ACS nano 9 (3), 3274-3283, 2015 | 264 | 2015 |
| Three-fold rotational defects in two-dimensional transition metal dichalcogenides YC Lin, T Björkman, HP Komsa, PY Teng, CH Yeh, FS Huang, KH Lin, ... Nature communications 6, 6736, 2015 | 225 | 2015 |
| Optical waveplates based on birefringence of anisotropic two-dimensional layered materials H Yang, H Jussila, A Autere, HP Komsa, G Ye, X Chen, T Hasan, Z Sun ACS Photonics 4 (12), 3023-3030, 2017 | 205 | 2017 |
| Finite-Size Supercell Correction for Charged Defects at Surfaces and Interfaces HP Komsa, A Pasquarello Physical Review Letters 110 (9), 095505, 2013 | 194 | 2013 |
| Effect of Alkali Metal Atom Doping on the CuInSe2-Based Solar Cell Absorber M Malitckaya, HP Komsa, V Havu, MJ Puska The Journal of Physical Chemistry C 121 (29), 15516-15528, 2017 | 168 | 2017 |
| Charged Point Defects in the Flatland: Accurate Formation Energy Calculations in Two-Dimensional Materials HP Komsa, N Berseneva, AV Krasheninnikov, RM Nieminen Physical Review X 4 (3), 031044, 2014 | 165 | 2014 |
| 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 | 159 | 2021 |
| Heavy Alkali Treatment of Cu(In,Ga)Se2 Solar Cells: Surface versus Bulk Effects S Siebentritt, E Avancini, M Bär, J Bombsch, E Bourgeois, S Buecheler, ... Advanced Energy Materials 10 (8), 1903752, 2020 | 151 | 2020 |
| Alignment of defect levels and band edges through hybrid functionals: Effect of screening in the exchange term HP Komsa, P Broqvist, A Pasquarello Physical Review B 81 (20), 205118, 2010 | 149 | 2010 |
| Atomic structure and dynamic behaviour of truly one-dimensional ionic chains inside carbon nanotubes R Senga, HP Komsa, Z Liu, K Hirose-Takai, AV Krasheninnikov, ... Nature materials 13 (11), 1050-1054, 2014 | 121 | 2014 |
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