Publications
Showing entries 21 - 40 out of 192
2023
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 Nov 30;127(47):22964-22974. doi: 10.1021/acs.jpcc.3c05552
Celiberti L, Varrassi L, Franchini C. Pb9Cu(PO4)6O is a charge-transfer semiconductor. Physical Review B. 2023 Nov 15;108(20):L201117. Epub 2023 Aug 22. doi: 10.1103/PhysRevB.108.L201117
Puntscher L, Sombut P, Wang C, Ulreich M, Pavelec J, Rafsanjani-Abbasi A et al. A Multitechnique Study of C2H4 Adsorption on Fe3O4(001). Journal of Physical Chemistry C. 2023 Sept 21;127(37):18378-18388. Epub 2023 Sept 11. doi: 10.1021/acs.jpcc.3c03684
Cai X, Wei SH, Deák P, Franchini C, Li SS, Deng HX. Band-gap trend of corundum oxides α - M2O3 (M = Co, Rh, Ir): An ab initio study. Physical Review B. 2023 Aug 15;108(7):075137. doi: 10.1103/PhysRevB.108.075137
Cong R, Garcia E, Forino PC, Tassetti A, Allodi G, Reyes AP et al. Effects of charge doping on Mott insulator with strong spin-orbit coupling, Ba2Na1−xCaxOsO6. Physical Review Materials. 2023 Aug;7(8):084409. doi: 10.1103/PhysRevMaterials.7.084409
Ellinger F, Shafiq M, Ahmad I, Reticcioli M, Franchini C. Small Polaron Formation on the Nb-doped SrTiO3(001) Surface. Physical Review Materials. 2023 Jun 28;7:064602. doi: 10.48550/arXiv.2208.10624, 10.1103/PhysRevMaterials.7.064602
Ergönenç Yavas Z, Cevher D, Silis HT, Cirpan A, Gülseren O, Franchini C. Experimental and Ab-Initio Investigation of the Electrical Conductivity of Emeraldine Salt. Journal of Physical Chemistry C. 2023 Apr 13;127(14):6813–6824. doi: 10.1021/acs.jpcc.2c07962
Kraushofer F, Meier M, Jakub Z, Hütner J, Balajka J, Hulva J et al. Oxygen-Terminated (1 × 1) Reconstruction of Reduced Magnetite Fe3O4(111). Journal of Physical Chemistry Letters. 2023 Apr 6;14(13):3258-3265. doi: 10.1021/acs.jpclett.3c00281
Ranalli L, Verdi C, Monacelli L, Kresse G, Calandra M, Franchini C. Temperature-Dependent Anharmonic Phonons in Quantum Paraelectric KTaO3 by First Principles and Machine-Learned Force Fields. Advanced Quantum Technologies. 2023 Apr;6(4):2200131. Epub 2023 Feb 22. doi: 10.1002/qute.202200131
Ragni S, Hahn T, Zhang Z, Prokof'ev N, Kuklov A, Klimin S et al. Polaron with quadratic electron-phonon interaction. Physical Review B. 2023 Mar 15;107(12):L121109. doi: 10.1103/PhysRevB.107.L121109, 10.48550/arXiv.2212.01475
Verdi C, Ranalli L, Franchini C, Kresse G. Quantum paraelectricity and structural phase transitions in strontium titanate beyond density functional theory. Physical Review Materials. 2023 Mar;7(3):L030801. doi: 10.48550/arXiv.2211.09616, 10.1103/PhysRevMaterials.7.L030801
Corrias M, Papa L, Sokolović I, Birschitzky V, Gorfer A, Setvín M et al. Automated Real-Space Lattice Extraction for Atomic Force Microscopy Images. Machine Learning: Science and Technology. 2023 Feb 8;4(1):015015. doi: 10.1088/2632-2153/acb5e0
Kim B, Khmelevskyi S, Franchini C, Mazin II. Suppressed Fluctuations as the Origin of the Static Magnetic Order in Strained Sr2RuO4. Physical Review Letters. 2023 Jan 13;130(2):026702. doi: 10.1103/PhysRevLett.130.026702
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
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 Sept 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