2024

Heppe, Nils ; Gallenkamp, Charlotte ; Snitkoff-Sol, Rifael Z. ; Paul, Stephen D. ; Segura-Salas, Nicole ; Haak, Hendrik ; Moritz, Dominik C. ; Kaiser, Bernhard ; Jaegermann, Wolfram ; Potapkin, Vasily ; Jafari, Atefeh ; Schünemann, Volker ; Leupold, Olaf ; Elbaz, Lior ; Krewald, Vera ; Kramm, Ulrike I. (2024)
Applying nuclear forward scattering as in situ and operando tool for the characterization of FeN4 moieties in the hydrogen evolution reaction.
In: Journal of the American Chemical Society, 146 (18)
doi: 10.1021/jacs.4c00436
Artikel, Bibliographie

Gallenkamp, Charlotte ; Kramm, Ulrike I. ; Krewald, Vera (2024)
FeN4 environments upon reduction: a computational analysis of spin states, spectroscopic properties, and active species.
In: JACS Au - an open access journal of the American Chemical Society
doi: 10.1021/jacsau.3c00714
Artikel, Bibliographie

2023

Heppe, Nils ; Gallenkamp, Charlotte ; Paul, Stephen Daniel ; Segura-Salas, Nicole ; Rhein, Niklas von ; Kaiser, Bernd ; Jaegermann, Wolfram ; Jafari, Atefeh ; Sergueev, Ilya ; Krewald, Vera ; Kramm, Ulrike I. (2023)
Substituent effects in iron porphyrin catalysts for the hydrogen evolution reaction.
In: Chemistry – A European Journal, 29 (10)
doi: 10.1002/chem.202202465
Artikel, Bibliographie

2022

Ni, Lingmei ; Gallenkamp, Charlotte ; Wagner, Stephan ; Bill, Eckhard ; Krewald, Vera ; Kramm, Ulrike I. (2022)
Identification of the catalytically dominant iron environment in iron- and nitrogen-doped carbon catalysts for the oxygen reduction reaction.
In: Journal of the American Chemical Society, 144 (37)
doi: 10.1021/jacs.2c04865
Artikel, Bibliographie

Gallenkamp, Charlotte (2022)
Developing molecular models for the prediction of spectroscopic properties of FeNC electrocatalyst active sites using DFT.
Technische Universität Darmstadt
doi: 10.26083/tuprints-00021590
Dissertation, Erstveröffentlichung, Verlagsversion

2021

Ni, Lingmei ; Gallenkamp, Charlotte ; Paul, Stephen ; Kübler, Markus ; Theis, Pascal ; Chabbra, Sonia ; Hofmann, Kathrin ; Bill, Eckhard ; Schnegg, Alexander ; Albert, Barbara ; Krewald, Vera ; Kramm, Ulrike I. (2021)
Active Site Identification in FeNC Catalysts and Their Assignment to the Oxygen Reduction Reaction Pathway by In Situ 57Fe Mössbauer Spectroscopy.
In: Advanced Energy and Sustainability Research
doi: 10.1002/aesr.202000064
Artikel, Bibliographie

Gallenkamp, Charlotte ; Kramm, Ulrike I. ; Krewald, Vera (2021)
Spectroscopic discernibility of dopants and axial ligands in pyridinic FeN4 environments relevant to single-atom catalysts.
In: Chemical Communications, 57
doi: 10.1039/D0CC06237E
Artikel, Bibliographie

2020

Gallenkamp, Charlotte ; Kramm, Ulrike I. ; Proppe, Jonny ; Krewald, Vera (2020)
Calibration of Computational Mössbauer Spectroscopy to Unravel Active Sites in FeNC-Catalysts for the Oxygen Reduction Reaction.
In: International Journal of Quantum Chemistry
doi: 10.1002/qua.26394
Artikel, Bibliographie