Publications
Showing entries 21 - 40 out of 180
2023
Di Sante D, Kim B, Hanke W, Wehling T, Franchini C, Thomale R et al. Electronic correlations and universal long-range scaling in kagome metals. Physical Review Research. 2023 Jan;5(1):L012008. doi: 10.1103/PhysRevResearch.5.L012008
Vörös D, Angeletti A, Franchini C, Mai S, González L. Adsorption of 4-(N,N-Dimethylamino)-4′-nitrostilbene on an Amorphous Silica Glass Surface. Journal of Physical Chemistry C. 2023. doi: 10.1021/acs.jpcc.3c05552
2022
Sombut P, Puntscher L, Atzmueller M, Jakub Z, Reticcioli M, Meier M et al. Correction: Role of Polarons in Single-Atom Catalysts: Case Study of Me
1 [Au
1, Pt
1, and Rh
1] on TiO
2(110) (Topics in Catalysis, (2022), 65, 17-18, (1620-1630), 10.1007/s11244-022-01651-0). Topics in Catalysis. 2022 Nov;65(17-18):1631-1631. Epub 2022 Jul 25. doi: 10.1007/s11244-022-01681-8
Sombut P, Puntscher L, Atzmueller M, Jakub Z, Reticcioli M, Meier M et al. Role of Polarons in Single-Atom Catalysts: Case Study of Me1 [Au1, Pt1, and Rh1] on TiO2(110). Topics in Catalysis. 2022 Nov;65(17-18):1620–1630. Epub 2022 Jun 27. doi: 10.1007/s11244-022-01651-0
Di Sante D, Medvidović M, Toschi A, Sangiovanni G, Franchini C, Sengupta AM et al. Deep Learning the Functional Renormalization Group. Physical Review Letters. 2022 Sep 21;129(13):136402. doi: 10.1103/PhysRevLett.129.136402
Wang Z, Reticcioli M, Jakub Z, Sokolović I, Meier M, Boatner LA et al. Surface chemistry on a polarizable surface: Coupling of CO with KTaO3(001). Science Advances. 2022 Aug 19;8(33):eabq1433. doi: 10.1126/sciadv.abq1433
Reticcioli M, Wang Z, Schmid M, Wrana D, Boatner LA, Diebold U et al. Competing electronic states emerging on polar surfaces. Nature Communications. 2022 Jul 25;13(1):4311. doi: 10.1038/s41467-022-31953-6, 10.48550/arXiv.2207.00516
Fiore Mosca D, Pourovskii L, Franchini C. Modeling magnetic multipolar phases in density functional theory. Physical Review B. 2022 Jul 18;106(3):035127. doi: 10.1103/PhysRevB.106.035127
Birschitzky VC, Ellinger F, Diebold U, Reticcioli M, Franchini C. Machine learning for exploring small polaron configurational space. npj Computational Materials. 2022 Jun;8:125. doi: https://doi.org/10.48550/arXiv.2202.01042, 10.1038/s41524-022-00805-8
Meier M, Hulva J, Jakub Z, Kraushofer F, Bobić M, Bliem R et al. CO oxidation by Pt2/Fe3O4: Metastable dimer and support configurations facilitate lattice oxygen extraction. Science Advances. 2022 Apr 1;8(13):4580. doi: 10.1126/sciadv.abn4580
Reticcioli M, Diebold U, Franchini C. Modeling polarons in density functional theory: lessons learned from TiO2. Journal of Physics: Condensed Matter. 2022 Mar 14;34(20):204006. doi: 10.1088/1361-648X/ac58d7
Muhammad Z, Liu P, Ahmad R, Jalali-Asadabadi S, Franchini C, Ahmad I. Revealing the quasiparticle electronic and excitonic nature in cubic, tetragonal, and hexagonal phases of FAPbI(3). AIP Advances. 2022 Feb 23;12(2):025330. doi: 10.1063/5.0076738
2021
Pourovskii LV, Fiore Mosca D, Franchini C. Ferro-octupolar Order and Low-Energy Excitations in d2 Double Perovskites of Osmium. Physical Review Letters. 2021 Dec 3;127(23):237201. Epub 2021 Nov 30. doi: 10.1103/PhysRevLett.127.237201
Jakub Z, Meier M, Kraushofer F, Balajka J, Pavelec J, Schmid M et al. Rapid oxygen exchange between hematite and water vapor. Nature Communications. 2021 Nov 10;12(1):6488. doi: 10.1038/s41467-021-26601-4
Hahn T, Nagaosa N, Franchini C, Mishchenko AS. Diagrammatic quantum Monte Carlo study of an acoustic lattice polaron. Physical Review B. 2021 Oct 15;104(16):L161111. doi: 10.1103/PhysRevB.104.L161111
Ebad-Allah J, Rojewski S, Vöst M, Eickerling G, Scherer W, Uykur E et al. Pressure-Induced Excitations in the Out-of-Plane Optical Response of the Nodal-Line Semimetal ZrSiS. Physical Review Letters. 2021 Aug 11;127(7):076402. doi: 10.1103/PhysRevLett.127.076402
Averyanov DV, Liu P, Sokolov IS, Parfenov OE, Karateev IA, Di Sante D et al. Nanoscale synthesis of ionic analogues of bilayer silicene with high carrier mobility. Journal of Materials Chemistry C. 2021 Jul 21;9(27):8545-8551 . Epub 2021 May 24. doi: 10.1039/d1tc01951a
Varrassi L, Liu P, Ergönenc Yavas Z, Bokdam M, Kresse G, Franchini C. Optical and excitonic properties of transition metal oxide perovskites by the Bethe-Salpeter equation. Physical Review Materials. 2021 Jul 9;5(7):074601. doi: 10.1103/PhysRevMaterials.5.074601
Franchini C, Reticcioli M, Setvín M, Diebold U. Polarons in materials. Nature Reviews Materials. 2021 Jul;6(7):560–586. Epub 2021 Mar 19. doi: 10.1038/s41578-021-00289-w
Dirnberger D, Kresse G, Franchini C, Reticcioli M. Electronic State Unfolding for Plane Waves: Energy Bands, Fermi Surfaces, and Spectral Functions. Journal of Physical Chemistry C. 2021 Jun 17;125(23):12921–12928. doi: 10.1021/acs.jpcc.1c02318