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1

Linking Bulk and Surface Structures in Complex Mixed Oxides:

Masliuk, Liudmyla ; Nam, Kyeonghyeon ; Terban, Maxwell W....
ACS Catalysis. 14 (2024) 11 - p. 9018-9033 , 2024

Link: https://doi.org/10.1021/..

2

Metastable nickel–oxygen species modulate rate oscillations..:

Sandoval-Diaz, Luis ; Cruz, Daniel ; Vuijk, Maurits...
Nature Catalysis. 7 (2024) 2 - p. 161-171 , 2024

Link: https://doi.org/10.1038/..

3

Factors Affecting the Electron Conductivity in Single Cryst..:

Demir, Samet ; Tekin, Adem ; Chan, Yu-Te...
ACS Applied Energy Materials. 7 (2024) 6 - p. 2392-2404 , 2024

Link: https://doi.org/10.1021/..

4

Tracking Li atoms in real-time with ultra-fast NMR simulati..:

Harper, Angela F ; Huss, Tabea ; Koecher, Simone.
Faraday Discussions. , 2024

Link: https://doi.org/10.1039/..

5

The EFG Rosetta Stone: Translating between DFT calculations..:

Valenzuela Reina, Javier ; Civaia, Federico ; Harper, Angela F..
Faraday Discussions. , 2024

Link: https://doi.org/10.1039/..

6

Systematic Exploration of a Multi-Promoter Catalyst Composi..:

Kunkel, Christian ; Rüther, Frederik ; Felsen, Frederic...
ACS Catalysis. 14 (2024) 11 - p. 9008-9017 , 2024

Link: https://doi.org/10.1021/..

7

Staged Training of Machine-Learning Potentials from Small t..:

Lee, Yonghyuk ; Timmermann, Jakob ; Panosetti, Chiara..
The Journal of Physical Chemistry C. 127 (2023) 35 - p. 17599-17608 , 2023

Link: https://doi.org/10.1021/..

8

Revisiting the Storage Capacity Limit of Graphite Battery A..:

Grosu, Cristina ; Panosetti, Chiara ; Merz, Steffen...
PRX Energy. 2 (2023) 1 - p. , 2023

Link: https://doi.org/10.1103/..

9

The intrinsic electrostatic dielectric behaviour of graphit..:

Anniés, Simon ; Scheurer, Christoph ; Panosetti, Chiara
Electrochimica Acta. 444 (2023) - p. 141966 , 2023

Link: https://doi.org/10.1016/..

10

Exploring catalytic reaction networks with machine learning:

Margraf, Johannes T. ; Jung, Hyunwook ; Scheurer, Christoph.
Nature Catalysis. 6 (2023) 2 - p. 112-121 , 2023

Link: https://doi.org/10.1038/..

11

Electrolyte contact changes nano-Li4Ti5O12 bulk properties ..:

Schleker, P. Philipp M. ; Grosu, Cristina ; Paulus, Marc...
Communications Chemistry. 6 (2023) 1 - p. , 2023

Link: https://doi.org/10.1038/..

12

A fuzzy classification framework to identify equivalent ato..:

Lai, King Chun ; Matera, Sebastian ; Scheurer, Christoph.
The Journal of Chemical Physics. 159 (2023) 2 - p. , 2023

Link: https://doi.org/10.1063/..

13

Exploiting Nanoscale Complexion in LATP Solid-State Electro..:

Stegmaier, Sina ; Reuter, Karsten ; Scheurer, Christoph
Nanomaterials. 12 (2022) 17 - p. 2912 , 2022

Link: https://doi.org/10.3390/..

14

Epitaxial Core‐Shell Oxide Nanoparticles: First‐Principles ..:

Lee, Yonghyuk ; Scheurer, Christoph ; Reuter, Karsten
ChemSusChem. 15 (2022) 10 - p. , 2022

Link: https://doi.org/10.1002/..

15

Tackling Structural Complexity in Li2S-P2S5 Solid-State Ele..:

Staacke, Carsten G. ; Huss, Tabea ; Margraf, Johannes T...
Nanomaterials. 12 (2022) 17 - p. 2950 , 2022

Link: https://doi.org/10.3390/..

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