Hörmann NG - Search Results

1

Electroreduction of CO₂ in a Non-aqueous Electrolyte-The Generic Role of Acetonitrile.

Mairegger T, Li H, Grießer C, Winkler D, Filser J, Hörmann NG, Reuter K, Kunze-Liebhäuser J. Mairegger T, et al. Among authors: hormann ng. ACS Catal. 2023 Apr 13;13(9):5780-5786. doi: 10.1021/acscatal.3c00236. eCollection 2023 May 5. ACS Catal. 2023. PMID: 37180961 Free PMC article.

2

Thermodynamic Cyclic Voltammograms Based on Ab Initio Calculations: Ag(111) in Halide-Containing Solutions.

Hörmann NG, Reuter K. Hörmann NG, et al. J Chem Theory Comput. 2021 Mar 9;17(3):1782-1794. doi: 10.1021/acs.jctc.0c01166. Epub 2021 Feb 19. J Chem Theory Comput. 2021. PMID: 33606513 Free PMC article.

3

Thermodynamic cyclic voltammograms: peak positions and shapes.

Hörmann NG, Reuter K. Hörmann NG, et al. J Phys Condens Matter. 2021 May 26;33(26). doi: 10.1088/1361-648X/abf7a1. J Phys Condens Matter. 2021. PMID: 33848987

4

Static and dynamic water structures at interfaces: A case study with focus on Pt(111).

Dávila López AC, Eggert T, Reuter K, Hörmann NG. Dávila López AC, et al. Among authors: hormann ng. J Chem Phys. 2021 Nov 21;155(19):194702. doi: 10.1063/5.0067106. J Chem Phys. 2021. PMID: 34800953

5

Implicit Solvation Methods for Catalysis at Electrified Interfaces.

Ringe S, Hörmann NG, Oberhofer H, Reuter K. Ringe S, et al. Among authors: hormann ng. Chem Rev. 2022 Jun 22;122(12):10777-10820. doi: 10.1021/acs.chemrev.1c00675. Epub 2021 Dec 20. Chem Rev. 2022. PMID: 34928131 Free PMC article. Review.

6

Controlled Electrochemical Barrier Calculations without Potential Control.

Beinlich SD, Kastlunger G, Reuter K, Hörmann NG. Beinlich SD, et al. Among authors: hormann ng. J Chem Theory Comput. 2023 Nov 28;19(22):8323-8331. doi: 10.1021/acs.jctc.3c00836. Epub 2023 Nov 7. J Chem Theory Comput. 2023. PMID: 37933878 Free PMC article.

7

Cavity formation at metal-water interfaces.

Eggert T, Hörmann NG, Reuter K. Eggert T, et al. Among authors: hormann ng. J Chem Phys. 2023 Nov 21;159(19):194702. doi: 10.1063/5.0167406. J Chem Phys. 2023. PMID: 37966001

8

Ab Initio-Based Modeling of Thermodynamic Cyclic Voltammograms: A Benchmark Study on Ag(100) in Bromide Solutions.

Bergmann N, Hörmann NG, Reuter K. Bergmann N, et al. Among authors: hormann ng. J Chem Theory Comput. 2023 Dec 12;19(23):8815-8825. doi: 10.1021/acs.jctc.3c00957. Epub 2023 Dec 1. J Chem Theory Comput. 2023. PMID: 38038493 Free PMC article.

9

Potential-induced nanoclustering of metallic catalysts during electrochemical CO₂ reduction.

Huang J, Hörmann N, Oveisi E, Loiudice A, De Gregorio GL, Andreussi O, Marzari N, Buonsanti R. Huang J, et al. Nat Commun. 2018 Aug 6;9(1):3117. doi: 10.1038/s41467-018-05544-3. Nat Commun. 2018. PMID: 30082872 Free PMC article.

10

Constant potential energetics of metallic and semiconducting electrodes: A benchmark study on 2D materials.

Oschinski H, Hörmann NG, Reuter K. Oschinski H, et al. Among authors: hormann ng. J Chem Phys. 2024 Jun 7;160(21):214706. doi: 10.1063/5.0202849. J Chem Phys. 2024. PMID: 38832745

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