Publications

Ali, H., P. König, X.Q. Tran, A. Kaus, H. Türk, A. Hammud, Z. Gheisari, V. Vibhu, V. Roddatis, F. Schmidt, R. Blume, P. Zeller, T. Frömling, F. Gunkel, A. Knop-Gericke, K. Reuter, R.-A. Eichel, C. Scheurer and T. Lunkenbein: Interfacial Atomic and Electronic Structures of LSM/YSZ Thin Films as Models for SOC Air Electrodes. ChemElectroChem 13 (6), e202500343 (2026).

Huss, T., F. Civaia, S.S. Köcher, K. Reuter, J. Granwehr and C. Scheurer: Simulating quadrupolar NMR dynamics in solid electrolyte Li₁₀GeP₂S₁₂. The Journal of Chemical Physics 164 (8), 084116 (2026).

Sandoval Diaz, L., T. Götsch, D. Cruz, M. Vuijk, J.M. Lombardi, M. Pietsch, K. Dembélé, A. Hammud, K. Reuter, C. Scheurer, A. Knop-Gericke and T. Lunkenbein: Stabilizing Frustrated Phase Transitions in Selective Oxidation Reactions. Advanced Materials 38 (8), e15292 (2026).

Müller, N.S., A.P. Fellows, B. John, A.E. Naclerio, C. Carbogno, K. Gharagozloo-Hubmann, D. Balaz, R.A. Kowalski, H. Heenen, C. Scheurer, K. Reuter, J.D. Caldwell, M. Wolf, P.R. Kidambi, M. Thämer and A. Paarmann: Full Crystallographic Imaging of Hexagonal Boron Nitride Monolayers with Phonon-Enhanced Sum-Frequency Microscopy. Advanced Materials 38 (7), e10124 (2026).

Poths, P., K.chun Lai, C. Scheurer, S. Matera and K. Reuter: Kinetic restructuring of catalyst active sites: A MACE-APE study of fluxional Pd_n/MgO (n=3-11) clusters. Faraday Discussions, in press.

Kouyate, M.A., G. Ducci, F. Felsen, C. Kunkel, K. Reuter and C. Scheurer: Model driven adaptive design with concentration profiles. The Journal of Chemical Physics 163 (22), 224113 (2025).

Harper, A.F., S.S. Köcher, K. Reuter and C. Scheurer: Performance metrics for tensorial learning: prediction of Li₄Ti₅O₁₂ nuclear magnetic resonance observables at experimental accuracy. Journal of Materials Chemistry A 13 (41), 35389–35399 (2025).

Chan, Y.-T., C. Grosu, M. Kick, P. Jakes, T. Gigl, S. Seidlmayer, W. Egger, R.-A. Eichel, J. Granwehr, C. Hugenschmidt and C. Scheurer: The origin of enhanced conductivity and structure change in defective Li₄Ti₅O₁₂: a study combining theoretical and experimental perspectives. Journal of Materials Chemistry A 13 (38), 32149–32158 (2025).

Choi, J., K. Nam, Y.T. Malik, R. Leiter, M. Zarrabeitia, C. Scheurer and S. Fleischmann: Interlayer Spacing Control of MoS₂ with Covalent Thiol Functionalization: Understanding Structure and Electrochemistry from Experiments and Simulation. ACS Nano 19 (40), 35425–35437 (2025).

Valenzuela Reina, J., V.M. Barysch, C. Szczuka, S.S. Köcher, J. Granwehr and C. Scheurer: Decoding the AlPO₄ and LATP surface with a combined NMR-DFT approach. Energy Advances 4 (8), 1013–1023 (2025).