| Chiral Phonons and Giant Magneto‐Optical Effect in CrBr3 2D Magnet T Yin, KA Ulman, S Liu, A Granados del Águila, Y Huang, L Zhang, ... Advanced Materials 33 (36), 2101618, 2021 | 65 | 2021 |
| Passivation of surface states of α-Fe2O3 (0001) surface by deposition of Ga2O3 overlayers: A density functional theory study K Ulman, MT Nguyen, N Seriani, R Gebauer The Journal of chemical physics 144 (9), 2016 | 38 | 2016 |
| Hole localization in from density functional theory and wave-function-based methods N Ansari, K Ulman, MF Camellone, N Seriani, R Gebauer, S Piccinin Physical Review Materials 1 (3), 035404, 2017 | 36 | 2017 |
| Organic-2D material heterostructures: A promising platform for exciton condensation and multiplication K Ulman, SY Quek Nano Letters 21 (20), 8888-8894, 2021 | 33 | 2021 |
| Point defects in twisted bilayer graphene: A density functional theory study K Ulman, S Narasimhan Physical Review B 89 (24), 245429, 2014 | 32 | 2014 |
| Near‐Unity Molecular Doping Efficiency in Monolayer MoS2 M Yarali, Y Zhong, SN Reed, J Wang, KA Ulman, DJ Charboneau, ... Advanced Electronic Materials 7 (2), 2000873, 2021 | 28 | 2021 |
| Light–matter interaction in quantum confined 2D polar metals K Nisi, S Subramanian, W He, KA Ulman, H El‐Sherif, F Sigger, ... Advanced Functional Materials 31 (4), 2005977, 2021 | 28 | 2021 |
| A unified picture of water oxidation on bare and gallium oxide-covered hematite from density functional theory K Ulman, MT Nguyen, N Seriani, S Piccinin, R Gebauer ACS Catalysis 7 (3), 1793-1804, 2017 | 28 | 2017 |
| Understanding the electrochemical double layer at the hematite/water interface: A first principles molecular dynamics study K Ulman, E Poli, N Seriani, S Piccinin, R Gebauer The Journal of chemical physics 150 (4), 2019 | 22 | 2019 |
| Tuning spin transport properties and molecular magnetoresistance through contact geometry K Ulman, S Narasimhan, A Delin The Journal of Chemical Physics 140 (4), 2014 | 22 | 2014 |
| Graphene oxide as an optimal candidate material for methane storage R Chouhan, K Ulman, S Narasimhan The Journal of chemical physics 143 (4), 044704, 2015 | 21 | 2015 |
| Physical origins of weak H2 binding on carbon nanostructures: insight from ab initio studies of chemically functionalized graphene nanoribbons K Ulman, D Bhaumik, BC Wood, S Narasimhan The Journal of chemical physics 140 (17), 2014 | 18 | 2014 |
| Adsorption of methane on single metal atoms supported on graphene: Role of electron back-donation in binding and activation N Pantha, K Ulman, S Narasimhan The Journal of Chemical Physics 153 (24), 2020 | 14 | 2020 |
| Magnetoelectric ε- Fe2O3 : DFT study of a potential candidate for electrode material in photoelectrochemical cells I Ahamed, K Ulman, N Seriani, R Gebauer, K Arti Journal of Chemical Physics 148 (214707), 7, 2018 | 14 | 2018 |
| Quantum mechanical effects in zwitterionic amino acids: The case of proline, hydroxyproline, and alanine in water K Ulman, S Busch, AA Hassanali The journal of chemical physics 148 (22), 2018 | 13 | 2018 |
| Leveraging polar discontinuities to tune the binding of methanol on BCN and graphene–BN lateral heterostructures D Acharya, K Ulman, S Narasimhan The Journal of Physical Chemistry C 125 (27), 15012-15024, 2021 | 8 | 2021 |
| Characterization of peroxo reaction intermediates in the water oxidation process on hematite surfaces LT Poaty, K Ulman, N Seriani, B M’Passi-Mabiala, R Gebauer Journal of molecular modeling 24, 1-8, 2018 | 7 | 2018 |
| Dielectric properties of Si3− ξGeξN4 and Si3− ξCξN4: A density functional study K Ulman, R Sathiyanarayanan, RK Pandey, KVRM Murali, S Narasimhan Journal of Applied Physics 113 (23), 2013 | 7 | 2013 |
| Shear Modes in a 2D Polar Metal W He, MT Wetherington, KA Ulman, JL Gray, JA Robinson, SY Quek The Journal of Physical Chemistry Letters 13 (18), 4015-4020, 2022 | 5 | 2022 |
| Electronic structure of a buried two-dimensional antiferromagnetic layer: Experimental and theoretical investigation of Ag/Cr/Ag (001) J Das, S Biswas, K Ulman, R Banerjee, G Gautam, AK Kundu, ... Physical Review B 98 (7), 075137, 2018 | 4 | 2018 |
Ralph GebauerInternational Centre for Theoretical Physics (ICTP)Verified email at ictp.it
