Implicit Solvation Methods for Catalysis at Electrified Interfaces von Ringe, Stefan, Hörmann, Nicolas G., Oberhofer, Harald, Reuter, Karsten

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Grand canonical simulations of electrochemical interfaces in implicit solvation models von Hörmann, Nicolas G., Andreussi, Oliviero, Marzari, Nicola

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Potential-induced nanoclustering of metallic catalysts during electrochemical CO2 reduction von Huang, Jianfeng, Hörmann, Nicolas, Oveisi, Emad, Loiudice, Anna, De Gregorio, Gian Luca, Andreussi, Oliviero, Marzari, Nicola, Buonsanti, Raffaella

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Solvent-Aware Interfaces in Continuum Solvation von Andreussi, Oliviero, Hörmann, Nicolas Georg, Nattino, Francesco, Fisicaro, Giuseppe, Goedecker, Stefan, Marzari, Nicola

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Ab Initio-Based Modeling of Thermodynamic Cyclic Voltammograms: A Benchmark Study on Ag(100) in Bromide Solutions von Bergmann, Nicolas, Hörmann, Nicolas G., Reuter, Karsten

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Thermodynamic Cyclic Voltammograms Based on Ab Initio Calculations: Ag(111) in Halide-Containing Solutions von Hörmann, Nicolas G, Reuter, Karsten

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Converging Divergent Paths: Constant Charge vs Constant Potential Energetics in Computational Electrochemistry von Hörmann, Nicolas G., Beinlich, Simeon D., Reuter, Karsten

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Cavity formation at metal–water interfaces von Eggert, Thorben, Hörmann, Nicolas G., Reuter, Karsten

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Field Effects at Protruding Defect Sites in Electrocatalysis at Metal Electrodes? von Beinlich, Simeon D., Hörmann, Nicolas G., Reuter, Karsten

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Controlled Electrochemical Barrier Calculations without Potential Control von Beinlich, Simeon D, Kastlunger, Georg, Reuter, Karsten, Hörmann, Nicolas G

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Electroreduction of CO2 in a Non-aqueous ElectrolyteThe Generic Role of Acetonitrile von Mairegger, Thomas, Li, Haobo, Grießer, Christoph, Winkler, Daniel, Filser, Jakob, Hörmann, Nicolas G., Reuter, Karsten, Kunze-Liebhäuser, Julia

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Electrosorption at metal surfaces from first principles von Hörmann, Nicolas G., Marzari, Nicola, Reuter, Karsten

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Some challenges in the first-principles modeling of structures and processes in electrochemical energy storage and transfer von Hörmann, Nicolas G., Jäckle, Markus, Gossenberger, Florian, Roman, Tanglaw, Forster-Tonigold, Katrin, Naderian, Maryam, Sakong, Sung, Groß, Axel

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Semiconductor-metal transition induced by nanoscale stabilization von Hörmann, Nicolas G, Gross, Axel, Kaghazchi, Payam

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Absolute band alignment at semiconductor-water interfaces using explicit and implicit descriptions for liquid water von Hörmann, Nicolas G., Guo, Zhendong, Ambrosio, Francesco, Andreussi, Oliviero, Pasquarello, Alfredo, Marzari, Nicola

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Polar Surface Energies of Iono-Covalent Materials: Implications of a Charge-Transfer Model Tested on Li2FeSiO4 Surfaces von Hormann, Nicolas G, Gross, Axel

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Electroreduction of CO 2 in a Non-aqueous Electrolyte-The Generic Role of Acetonitrile von Mairegger, Thomas, Li, Haobo, Grießer, Christoph, Winkler, Daniel, Filser, Jakob, Hörmann, Nicolas G, Reuter, Karsten, Kunze-Liebhäuser, Julia

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Static and dynamic water structures at interfaces: A case study with focus on Pt(111) von Dávila López, Alexandra C., Eggert, Thorben, Reuter, Karsten, Hörmann, Nicolas G.

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E1(A) Electronic Band Gap in Wurtzite InAs Nanowires Studied by Resonant Raman Scattering von Zardo, Ilaria, Yazji, Sara, Hörmann, Nicolas, Hertenberger, Simon, Funk, Stefan, Mangialardo, Sara, Morkötter, Stefanie, Koblmüller, Gregor, Postorino, Paolo, Abstreiter, Gerhard

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Constant potential energetics of metallic and semiconducting electrodes: A benchmark study on 2D materials von Oschinski, Hedda, Hörmann, Nicolas Georg, Reuter, Karsten

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