Sokolović, Igor; Schmid, Michael; Diebold, Ulrike; Setvin, Martin; Franchini, Cesare; Reticcioli, Michele, Interplay between Adsorbates and Polarons: CO on Rutile TiO2 (110), «PHYSICAL REVIEW LETTERS», 2019, 122, pp. 1 - 7 [articolo]
Khan S.A.; Rehman G.; Ahmad I.; Maqbool M.; Franchini C.; Amin B., Intriguing electronic and optical properties of M2CX2 (M = Mo, W; X = O, F) MXenes and their van der Waals heterostructures, «CHEMICAL PHYSICS LETTERS», 2019, 731, Article number: 136614, pp. 1 - 6 [articolo]
Jakub Z.; Hulva J.; Meier M.; Bliem R.; Kraushofer F.; Setvin M.; Schmid M.; Diebold U.; Franchini C.; Parkinson G.S., Local Structure and Coordination Define Adsorption in a Model Ir1/Fe3O4 Single-Atom Catalyst, «ANGEWANDTE CHEMIE. INTERNATIONAL EDITION», 2019, 58, pp. 13961 - 13968 [articolo]
Dudarev S.L.; Liu P.; Andersson D.A.; Stanek C.R.; Ozaki T.; Franchini C., Parametrization of LSDA+U for noncollinear magnetic configurations: Multipolar magnetism in UO2, «PHYSICAL REVIEW MATERIALS», 2019, 3, Article number: 083802, pp. 1 - 14 [articolo]
Reticcioli, Michele; Diebold, Ulrike; Kresse, Georg; Franchini, Cesare, Small Polarons in Transition Metal Oxides, in: Handbook of Materials Modeling, Berlin, Springer, 2019, pp. 1 - 39 [capitolo di libro]
Ma J.-Z.; Nie S.M.; Yi C.J.; Jandke J.; Shang T.; Yao M.Y.; Naamneh M.; Yan L.Q.; Sun Y.; Chikina A.; Strocov V.N.; Medarde M.; Song M.; Xiong Y.-M.; Xu G.; Wulfhekel W.; Mesot J.; Reticcioli M.; Franchini C.; Mudry C.; Muller M.; Shi Y.G.; Qian T.; Ding H.; Shi M., Spin fluctuation induced Weyl semimetal state in the paramagnetic phase of EuCd2As2, «SCIENCE ADVANCES», 2019, 5, Article number: eaaw4718, pp. 1 - 8 [articolo]Open Access
Klimin, S. N.; Tempere, J.; Devreese, J. T.; He, J.; Franchini, C.; Kresse, G., Superconductivity in SrTiO3: Dielectric Function Method for Non-Parabolic Bands, «JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM», 2019, 32, pp. 1 - 6 [articolo]
Belviso F.; Claerbout V.E.P.; Comas-Vives A.; Dalal N.S.; Fan F.-R.; Filippetti A.; Fiorentini V.; Foppa L.; Franchini C.; Geisler B.; Ghiringhelli L.M.; Gross A.; Hu S.; Iniguez J.; Kauwe S.K.; Musfeldt J.L.; Nicolini P.; Pentcheva R.; Polcar T.; Ren W.; Ricci F.; Ricci F.; Sen H.S.; Skelton J.M.; Sparks T.D.; Stroppa A.; Urru A.; Vandichel M.; Vavassori P.; Wu H.; Yang K.; Zhao H.J.; Puggioni D.; Cortese R.; Cammarata A., Viewpoint: Atomic-Scale Design Protocols toward Energy, Electronic, Catalysis, and Sensing Applications, «INORGANIC CHEMISTRY», 2019, 58, pp. 14939 - 14980 [articolo]
Franchini, Cesare; Boeri, Lilia; Smolyanyuk, Andriy, Ab initio study of ABiO3 (A=Ba, Sr, Ca) under high pressure, «PHYSICAL REVIEW. B», 2018, 98, pp. 1 - 8 [articolo]
Kim, Bongjae; Liu, Peitao; Kresse, Georg; Franchini, Cesare; Ergönenc, Zeynep, Converged GW quasiparticle energies for transition metal oxide perovskites, «PHYSICAL REVIEW MATERIALS», 2018, 2, pp. 1 - 16 [articolo]
Klimin, Sergei; Tempere, Jacques; Devreese, Jozef T.; Franchini, Cesare; Hahn, Thomas, Diagrammatic Monte Carlo study of Fröhlich polaron dispersion in two and three dimensions, «PHYSICAL REVIEW. B», 2018, 97, pp. 1 - 9 [articolo]
Ryan, P.T.P.; Jakub, Z.; Balajka, J.; Hulva, J.; Meier, M.; Küchle, J.T.; Blowey, P.J.; Thakur, P. Kumar; Franchini, C.; Payne, D.J.; Woodruff, D.P.; Rochford, L.A.; Allegretti, F.; Lee, T.-L.; Parkinson, G.S.; Duncan, D.A.*, Direct measurement of Ni incorporation into Fe3O4(001), «PHYSICAL CHEMISTRY CHEMICAL PHYSICS», 2018, 20, pp. 16469 - 16476 [articolo]
Setvin, Martin; Schmid, Michael; Diebold, Ulrike; Franchini, Cesare; Reticcioli, Michele, Formation and dynamics of small polarons on the rutile TiO2 (110) surface, «PHYSICAL REVIEW. B», 2018, 98, pp. 1 - 14 [articolo]
Riva, Michele; Kubicek, Markus; Hao, Xianfeng; Franceschi, Giada; Gerhold, Stefan; Schmid, Michael; Hutter, Herbert; Fleig, Juergen; Franchini, Cesare; Yildiz, Bilge; Diebold, Ulrike, Influence of surface atomic structure demonstrated on oxygen incorporation mechanism at a model perovskite oxide, «NATURE COMMUNICATIONS», 2018, 9, Article number: 3710, pp. 1 - 9 [articolo]Open Access
Setvin, Martin*; Reticcioli, Michele; Poelzleitner, Flora; Hulva, Jan; Schmid, Michael; Boatner, Lynn A.; Franchini, Cesare; Diebold, Ulrike, Polarity compensation mechanisms on the perovskite surface KTaO3(001), «SCIENCE», 2018, 359, pp. 572 - 575 [articolo]Open Access
