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2017

Journal of Physical Chemistry C, 121-7:3724 – 3733, 2017 doi:10.1021/acs.jpcc.6b11298

Development of a Classical Interatomic Potential for MAPbBr3

Hata Tomoyuki, Giorgi Giacomo, Yamashita Koichi, Caddeo Claudia, Mattoni Alessandro
Journal of Applied Physics, 121-10, 2017 doi:10.1063/1.4978315

Thickness dependence of spin wave excitations in an artificial square spin ice-like geometry

Li Y., Gubbiotti G., Casoli F., Morley S.A., Gonçalves F.J.T., Rosamond M.C., Linfield E.H., Marrows C.H., McVitie S., Stamps R.L.
Physical Review B, 95-14, 2017 doi:10.1103/PhysRevB.95.144511

Nematicity at the Hund's metal crossover in iron superconductors

Fanfarillo L., Giovannetti G., Capone M., Bascones E.
2D Materials, 4-2, 2017 doi:10.1088/2053-1583/aa702c

Key role of rotated domains in oxygen intercalation at graphene on Ni(1 1 1)

Bignardi Luca, Lacovig Paolo, Dalmiglio Matteo M., Orlando Fabrizio, Ghafari Aliakbar, Petaccia Luca, Baraldi Alessandro, Larciprete Rosanna, Lizzit Silvano
Journal of Physical Chemistry C, 121-10:5667 – 5674, 2017 doi:10.1021/acs.jpcc.7b00518

Adsorption Structure of Cobalt Tetraphenylporphyrin on Ag(100)

Wechsler Daniel, Franke Matthias, Tariq Quratulain, Zhang Liang, Lee Tien-Lin, Thakur Pardeep Kumar, Tsud Nataliya, Bercha Sofiia, Prince Kevin Charles, Steinrück Hans-Peter, Lytken Ole
Journal of Chemical Theory and Computation, 13-6:2400 – 2417, 2017 doi:10.1021/acs.jctc.7b00017

Fully Quantum Description of the Zundel Ion: Combining Variational Quantum Monte Carlo with Path Integral Langevin Dynamics

Mouhat Félix, Sorella Sandro, Vuilleumier Rodolphe, Saitta Antonino Marco, Casula Michele
Journal of the American Chemical Society, 139-26:8960 – 8970, 2017 doi:10.1021/jacs.7b03211

Understanding the Oxygen Evolution Reaction Mechanism on CoOx using Operando Ambient-Pressure X-ray Photoelectron Spectroscopy

Favaro Marco, Yang Jinhui, Nappini Silvia, Magnano Elena, Toma Francesca M., Crumlin Ethan J., Yano Junko, Sharp Ian D.
Molecular Systems Design and Engineering, 2-2:165 – 172, 2017 doi:10.1039/c7me00005g

Functionalization of SiC/SiO: X nanowires with a porphyrin derivative: A hybrid nanosystem for X-ray induced singlet oxygen generation

Tatti R., Timpel M., Nardi M.V., Fabbri F., Rossi R., Pasquardini L., Chiasera A., Aversa L., Koshmak K., Giglia A., Pasquali L., Rimoldi T., Cristofolini L., Attolini G., Varas S., Iannotta S., Verucchi R., Salviati G.
Physical Review B, 95-12, 2017 doi:10.1103/PhysRevB.95.121114

Locality of the anomalous Hall conductivity

Marrazzo Antimo, Resta Raffaele
Physical Review B, 95-20, 2017 doi:10.1103/PhysRevB.95.205120

Edge state reconstruction from strong correlations in quantum spin Hall insulators

Amaricci A., Privitera L., Petocchi F., Capone M., Sangiovanni G., Trauzettel B.
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