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2024

Pure and Applied Chemistry, 2024 doi:10.1515/pac-2023-1013

In-situ and operando Grazing Incidence XAS: a novel set-up and its application to model Pd electrodes for alcohols oxidation

Berretti Enrico, Giaccherini Andrea, Dell’Aquila Vincenzo, Di Benedetto Francesco, Montegrossi Giordano, Lepore Giovanni Orazio, Innocenti Massimo, D’Acapito Francesco, Vizza Francesco, Lavacchi Alessandro
Applied Surface Science, 656, 2024 doi:10.1016/j.apsusc.2024.159724

Initial stages of growth and electronic properties of epitaxial SrF2 thin films on Ag(1 1 1)

Borghi Mauro, Mescola Andrea, Paolicelli Guido, Montecchi Monica, D'Addato Sergio, Vacondio Simone, Bursi Luca, Ruini Alice, Doyle Bryan P., Grasser Tibor, Pasquali Luca
Optica, 11-3:403 – 411, 2024 doi:10.1364/OPTICA.509745

High-resolution ptychographic imaging at a seeded free-electron laser source using OAM beams

Pancaldi Matteo, Guzzi Francesco, Bevis Charles S., Manfredda Michele, Barolak Jonathan, Bonetti Stefano, Bykova Iuliia, Angelis Dario De, Ninno Giovanni De, Fanciulli Mauro, Novinec Luka, Pedersoli Emanuele, Ravindran Arun, Rosner Benedikt, David Christian, Ruchon Thierry, Simoncig Alberto, Zangrando Marco, Adams Daniel E., Vavassori Paolo, Sacchi Maurizio, Kourousias George, Mancini Giulia F., Capotondi Flavio
npj Computational Materials, 10-1, 2024 doi:10.1038/s41524-024-01225-6

Incorporating long-range electrostatics in neural network potentials via variational charge equilibration from shortsighted ingredients

Shaidu Yusuf, Pellegrini Franco, Küçükbenli Emine, Lot Ruggero, de Gironcoli Stefano
Nanotechnology, 35-23, 2024 doi:10.1088/1361-6528/ad3254

Optical properties of two-dimensional tin nanosheets epitaxially grown on graphene

Bonaventura Eleonora, Martella Christian, Macis Salvatore, Dhungana Daya S, Krotkus Simonas, Heuken Michael, Lupi Stefano, Molle Alessandro, Grazianetti Carlo
Physical Review B, 109-10, 2024 doi:10.1103/PhysRevB.109.104112

Nuclear quantum effects in structural and elastic properties of cubic silicon carbide

Herrero Carlos P., Ramírez Rafael, Herrero-Saboya Gabriela
Physical Review B, 109-6, 2024 doi:10.1103/PhysRevB.109.064411

Relevance of thermal disorder in the electronic and spin ultrafast dynamics of iron in the low-perturbation regime

Pierantozzi G.M., De Vita A., Cucini R., Finardi A.M., Pincelli T., Sirotti F., Fujii J., Dri C., Brajnik G., Sergo R., Cautero G., Panaccione G., Rossi G.
Journal of Physical Chemistry C, 128-6:2705 � 2712, 2024 doi:10.1021/acs.jpcc.3c07955

Substrate-Dependent Physical Properties at the Interface of Manganese(II) Phthalocyanine and Topological Insulators

Itaya Ryota, Higuchi Yuki, Nishioka Tomoki, Tomita Mito, Kuroda Kenta, Fujii Jun, Sato Hitoshi, Sakamoto Kazuyuki
Computer Physics Communications, 297, 2024 doi:10.1016/j.cpc.2023.109038

Tiresia: A code for molecular electronic continuum states and photoionization

Toffoli Daniele, Coriani Sonia, Stener Mauro, Decleva Piero
Journal of Physical Chemistry C, 128-8:3167 � 3179, 2024 doi:10.1021/acs.jpcc.3c06774

Adsorption of NOx Molecules on the Hematite Surface: Isolated Versus Paired

Liang Yi-Bo, Wu Cui-Xia, Sun Tao, Fabris Stefano, Du Lin
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