Last update : 06.07.2025
Gorelov, V., Reining, L., Feneberg, M., Goldhahn, R., Schleife, A., Lambrecht, W.R.L., Gatti, M. "Delocalization of dark and bright excitons in flat-band materials and the optical properties of V2O5" npj Computational Materials., 8: art.n° 94. (2022).
Vanzini, M., Aouina, A., Panholzer, M., Gatti, M., Reining , L. "Connector theory for reusing model results to determine materials properties" npj Computational Materials., 8: art.n° 98. (2022).
Atkins, D., Capria, E., Edström, K., Famprikis, T., Grimaud, A., Jacquet, Q., Johnson, M., Matic, A., Norby, P., Reichert, H., Rueff, J.P., Villevieille, C., Wagemaker, M., Lyonnard, S. "Accelerating Battery Characterization Using Neutron and Synchrotron Techniques: Toward a Multi-Modal and Multi-Scale Standardized Experimental Workflow" Advanced Energy Materials., 12(17): art.n° 2102694. (2022).
Atkins, D., Ayerbe, E., Benayad, A., Capone, F.G., Capria, E., Castelli, I.E., Cekic-Laskovic, I., Ciria, R., Dudy, L., Edström, K., Johnson, M.R., Li, H., Garcia Lastra, J.M., De Souza, M.L., Meunier, V., Morcrette, M., Reichert, H., Simon, P., Rueff, J.P., Sottmann, J., Wenzel, W., Grimaud, A. "Understanding Battery Interfaces by Combined Characterization and Simulation Approaches: Challenges and Perspectives" Advanced Energy Materials., 12(17): art.n° 2102687. (2022).
Gopakumar, G., Muchová, E., Unger, I., Malerz, S., Trinter, F., Öhrwall, G., Lipparini, F., Mennucci, B., Céolin, D., Caleman, C., Wilkinson, I., Winter, B., Slavíček, P., Hergenhahn, U., Björneholm, O. "Probing aqueous ions with non-local Auger relaxation" PCCP - Physical Chemistry Chemical Physics., 24(15): 8661-8671. (2022).
Martins, J.B., de Moura, C.E.V., Goldsztejn, G., Travnikova, O, Guillemin, R., Ismail, I., Journel, L., Koulentianos, D., Barbatti, M., Lago, A.F., Ceolin, D., Rocco, M.L., Püttner, R., Piancastelli, M.N., Simon, M., Marchenko, T. "Electron delocalisation in conjugated sulfur heterocycles probed by resonant Auger spectroscopy" PCCP - Physical Chemistry Chemical Physics., 24(14): 8477-8487. (2022).
Qu, G., Qiu, C., Wang, J., Tan, J., Jia, S., Chen, Z., Rueff, J.P., Zheng, W.G., Su, C., Tian, B. "Phase engineering of Mo-V oxides molecular sieves for zinc-ion batteries" Science China Materials., 65(4): 939–946. (2022).
Goldsztejn, G., Guillemin, R., Marchenko, T., Travnikova, O, Ceolin, D., Journel, L., Simon, M., Piancastelli, M.N., Püttner, R. "Simulation of Auger decay dynamics in the hard x-ray regime: HCl as showcase" PCCP - Physical Chemistry Chemical Physics., 24(11): 6590-6604. (2022).
Cherasse, M., Dong, J., Trippé-Allard, G., Deleporte, E., Garrot, D., Maehrlein, S.F., Wolf, M., Chen, Z., Papalazarou, E., Marsi, M., Rueff, J.P., Taleb-Ibrahimi, A., Perfetti, L. "Electron Dynamics in Hybrid Perovskites Reveal the Role of Organic Cations on the Screening of Local Charges" Nano Letters., 22(5): 2065–2069. (2022).
Henthorn, J.T., Cutsail III, G.E., Weyhermüller, T., DeBeer, S. "Stabilization of intermediate spin states in mixed-valent diiron dichalcogenide complexes" Nature Chemistry., 14(3): 328–333. (2022).