Comparing van der Waals DFT methods for water on NaCl (001) and MgO (001) GG Kebede, D Spångberg, PD Mitev, P Broqvist, K Hermansson The Journal of Chemical Physics 146 (6), 2017 | 32 | 2017 |
Fifty shades of water: Benchmarking DFT functionals against experimental data for ionic crystalline hydrates G Kebede, PD Mitev, P Broqvist, A Eriksson, K Hermansson Journal of chemical theory and computation 15 (1), 584-594, 2018 | 19 | 2018 |
Red-shifting and blue-shifting OH groups on metal oxide surfaces–towards a unified picture GG Kebede, PD Mitev, WJ Briels, K Hermansson Physical chemistry chemical physics 20 (18), 12678-12687, 2018 | 19 | 2018 |
Hydrogen-bond relations for surface OH species GG Kebede, PD Mitev, P Broqvist, J Kullgren, K Hermansson The Journal of Physical Chemistry C 122 (9), 4849-4858, 2018 | 12 | 2018 |
Electronic and Optical Properties of Sn/Ge-Substituted 2D Dion-Jacobson Phase (3-AMPY)4Pb4I16 Perovskite for Photovoltaic Applications: A First Principle Study FG Asefa, AA Arega, GG Kebede, YS Mekonnen, KO Obodo The Journal of Physical Chemistry C 128 (34), 14158-14167, 2024 | | 2024 |
Water in and on ionic materials: Structure, energetics, and vibrations G Kebede Acta Universitatis Upsaliensis, 2018 | | 2018 |
OH vibration at the water/MgO (001) interface GG Kebede, P D Mitev, C Zhang, K Hermansson | | 2018 |
Chemistry of Complex Materials P Broqvist, J Kullgren, C Zhang, D Du, K Hermansson, G Kebede, ... Swedish e-Science Academy 2017, 2017 | | 2017 |