| Potential-induced nanoclustering of metallic catalysts during electrochemical CO2 reduction J Huang, N Hörmann, E Oveisi, A Loiudice, GL De Gregorio, O Andreussi, ... Nature communications 9 (1), 3117, 2018 | 302 | 2018 |
| Fluoride ion batteries: Theoretical performance, safety, toxicity, and a combinatorial screening of new electrodes F Gschwind, G Rodriguez-Garcia, DJS Sandbeck, A Gross, M Weil, ... Journal of Fluorine Chemistry 182, 76-90, 2016 | 258 | 2016 |
| Grand canonical simulations of electrochemical interfaces in implicit solvation models NG Hörmann, O Andreussi, N Marzari The Journal of chemical physics 150 (4), 2019 | 157 | 2019 |
| Implicit solvation methods for catalysis at electrified interfaces S Ringe, NG Hormann, H Oberhofer, K Reuter Chemical Reviews 122 (12), 10777-10820, 2021 | 91 | 2021 |
| Self-activation of copper electrodes during CO electro-oxidation in alkaline electrolyte A Auer, M Andersen, EM Wernig, NG Hörmann, N Buller, K Reuter, ... Nature Catalysis 3 (10), 797-803, 2020 | 68 | 2020 |
| Some challenges in the first-principles modeling of structures and processes in electrochemical energy storage and transfer NG Hörmann, M Jäckle, F Gossenberger, T Roman, K Forster-Tonigold, ... Journal of Power Sources 275, 531-538, 2015 | 61 | 2015 |
| Electrosorption at metal surfaces from first principles NG Hörmann, N Marzari, K Reuter npj Computational Materials 6 (1), 136, 2020 | 53 | 2020 |
| Absolute band alignment at semiconductor-water interfaces using explicit and implicit descriptions for liquid water NG Hörmann, Z Guo, F Ambrosio, O Andreussi, A Pasquarello, N Marzari npj Computational Materials 5 (1), 100, 2019 | 53 | 2019 |
| Solvent-aware interfaces in continuum solvation O Andreussi, NG Hormann, F Nattino, G Fisicaro, S Goedecker, N Marzari Journal of chemical theory and computation 15 (3), 1996-2009, 2019 | 53 | 2019 |
| Effects of stacking variations on the lattice dynamics of InAs nanowires NG Hörmann, I Zardo, S Hertenberger, S Funk, S Bolte, M Döblinger, ... Physical Review B 84 (15), 155301, 2011 | 49 | 2011 |
| E1(A) Electronic Band Gap in Wurtzite InAs Nanowires Studied by Resonant Raman Scattering I Zardo, S Yazji, N Hörmann, S Hertenberger, S Funk, S Mangialardo, ... Nano letters 13 (7), 3011-3016, 2013 | 34 | 2013 |
| Stability, composition and properties of Li2FeSiO4 surfaces studied by DFT NG Hörmann, A Groß Journal of solid state electrochemistry 18, 1401-1413, 2014 | 29 | 2014 |
| Electrosorption at metal surfaces from first principles NG Hörmann, N Marzari, K Reuter npj Comput. Mater. 6 (1), 1-10, 2020 | 27 | 2020 |
| Absolute band alignment at semiconductor-water interfaces using explicit and implicit descriptions for liquid water NG Hörmann, Z Guo, F Ambrosio, O Andreussi, A Pasquarello, ... npj Computational Materials 5 (1), 2019 | 25 | 2019 |
| Semiconductor–metal transition induced by nanoscale stabilization NG Hörmann, A Gross, P Kaghazchi Physical Chemistry Chemical Physics 17 (8), 5569-5573, 2015 | 24 | 2015 |
| Thermodynamic Cyclic Voltammograms Based on Ab Initio Calculations: Ag(111) in Halide-Containing Solutions NG Hörmann, K Reuter Journal of Chemical Theory and Computation 17 (3), 1782-1794, 2021 | 21 | 2021 |
| Field effects at protruding defect sites in electrocatalysis at metal electrodes? SD Beinlich, NG Hörmann, K Reuter ACS Catalysis 12 (10), 6143-6148, 2022 | 14 | 2022 |
| Phase field parameters for battery compounds from first-principles calculations NG Hörmann, A Groß Physical Review Materials 3 (5), 055401, 2019 | 14 | 2019 |
| Stabilization of the γ-Sn phase in tin nanoparticles and nanowires NG Hörmann, A Gross, J Rohrer, P Kaghazchi Applied Physics Letters 107 (12), 2015 | 13 | 2015 |
| Polar Surface Energies of Iono‐Covalent Materials: Implications of a Charge‐Transfer Model Tested on Li2FeSiO4 Surfaces NG Hörmann, A Groß ChemPhysChem 15 (10), 2058-2069, 2014 | 12 | 2014 |
Karsten ReuterDirector at Fritz-Haber-Institut der MPGVerified email at fhi-berlin.mpg.de
