Publications S3-NANO | CNR Istituto Nanoscienze

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Controlling the Plasmonic Properties of Ultrathin TiN Films at the Atomic Level; Shah D., Catellani A., Reddy H., Kinsey N., Shalaev V., Boltasseva A., Calzolari A.; ACS Photonics (5); 2816-2824 (2018) 10.1021/acsphotonics.7b01553

The ultrafast dynamics and conductivity of photoexcited graphene at different Fermi energies; Tomadin A., Hornett S.M., Wang H.I., Alexeev E.M., Candini A., Coletti C., Turchinovich D., Kläui M., Bonn M., Koppens F.H.L., Hendry E., Polini M., Tielrooij K.J.; Science Advances (4); eaar5313 (2018) 10.1126/sciadv.aar5313

Dynamics and Hall-edge-state mixing of localized electrons in a two-channel Mach-Zehnder interferometer; Bellentani L., Beggi A., Bordone P., Bertoni A.; Physical Review B (97); 205419 (2018) 10.1103/PhysRevB.97.205419

Bandgap Engineering of Graphene Nanoribbons by Control over Structural Distortion; Hu Y., Xie P., De Corato M., Ruini A., Zhao S., Meggendorfer F., Straasø L.A., Rondin L., Simon P., Li J., Finley J.J., Hansen M.R., Lauret J.S., Molinari E., Feng X., Barth J.V., Palma C.A., Prezzi D., Müllen K., Narita A.; Journal of the American Chemical Society (140); 7803-7809 (2018) 10.1021/jacs.8b02209

Linear conduction in N-type organic field effect transistors with nanometric channel lengths and graphene as electrodes; Chianese F., Candini A., Affronte M., Mishra N., Coletti C., Cassinese A.; Applied Physics Letters (112); 213301 (2018) 10.1063/1.5023659

Comparison of Cliff-Lorimer-Based Methods of Scanning Transmission Electron Microscopy (STEM) Quantitative X-Ray Microanalysis for Application to Silicon Oxycarbides Thin Films; Parisini A., Frabboni S., Gazzadi G.C., Rosa R., Armigliato A.; Microscopy and Microanalysis (24); 193-206 (2018) 10.1017/S1431927618000259

Koopmans-Compliant Spectral Functionals for Extended Systems; Nguyen N., Colonna N., Ferretti A., Marzari N.; Physical Review X (8); 021051 (2018) 10.1103/PhysRevX.8.021051

Hierarchical Order in Dewetted Block Copolymer Thin Films on Chemically Patterned Surfaces; Ferrarese Lupi F., Giammaria T., Miti A., Zuccheri G., Carignano S., Sparnacci K., Seguini G., De Leo N., Boarino L., Perego M., Laus M.; ACS Nano (12); 7076-7085 (2018) 10.1021/acsnano.8b02832

Universal Quantum Magnetometry with Spin States at Equilibrium; Troiani F., Paris M.; Physical Review Letters (120); 260503 (2018) 10.1103/PhysRevLett.120.260503

Interfacial Charge Density and Its Connection to Adhesion and Frictional Forces; Wolloch M., Levita G., Restuccia P., Righi M.; Physical Review Letters (121); 026804 (2018) 10.1103/PhysRevLett.121.026804

First-principle investigations of carrier multiplication in Si nanocrystals: A short review; Marri I., Ossicini S.; AIP Conference Proceedings (1990); 020002 (2018) 10.1063/1.5047756

First Principles Modeling of Si/Ge Nanostructures for Photovoltaic and Optoelectronic Applications; Marri I., Amato M., Guerra R., Ossicini S.; Physica Status Solidi (B) Basic Research (255); 1700627 (2018) 10.1002/pssb.201700627

Scanning tunneling microscopy and photoemission studies of self-organised Ag nanostructures on the N-modified Cu(001) surface; Finetti P., Ferrari L., D'Addato S.; Surface Science (677); 213-218 (2018) 10.1016/j.susc.2018.07.009

Quantum annealing versus classical machine learning applied to a simplified computational biology problem; Li R.Y., Di Felice R., Rohs R., Lidar D.A.; npj Quantum Information (4); 14 (2018) 10.1038/s41534-018-0060-8

Shaping excitons in light-harvesting proteins through nanoplasmonics; Caprasecca S., Corni S., Mennucci B.; Chemical Science (9); 6219-6227 (2018) 10.1039/c8sc01162a

Coherent coupling of molecular spins with microwave photons in planar superconducting resonators; Bonizzoni C., Ghirri A., Affronte M.; Advances in Physics: X (3); 1435305 (2018) 10.1080/23746149.2018.1435305

Bonds, lone pairs, and shells probed by means of on-top dynamical correlations; Pittalis S., Varsano D., Delgado A., Rozzi C.A.; European Physical Journal B (91); 187 (2018) 10.1140/epjb/e2018-90143-4

Time Evolution of Floquet States in Graphene; Manghi F., Puviani M., Lenzini F.; Advances in Condensed Matter Physics (2018); 5703197 (2018) 10.1155/2018/5703197

Ideal adhesive and shear strengths of solid interfaces: A high throughput ab initio approach; Restuccia P., Levita G., Wolloch M., Losi G., Fatti G., Ferrario M., Righi M.; Computational Materials Science (154); 517-529 (2018) 10.1016/j.commatsci.2018.08.006

Tau-Centric Multitarget Approach for Alzheimer's Disease: Development of First-in-Class Dual Glycogen Synthase Kinase 3β and Tau-Aggregation Inhibitors; Gandini A., Bartolini M., Tedesco D., Martinez-Gonzalez L., Roca C., Campillo N.E., Zaldivar-Diez J., Perez C., Zuccheri G., Miti A., Feoli A., Castellano S., Petralla S., Monti B., Rossi M., Moda F., Legname G., Martinez A., Bolognesi M.L.; Journal of Medicinal Chemistry (61); 7640-7656 (2018) 10.1021/acs.jmedchem.8b00610

Solid-State Effects on the Optical Excitation of Push-Pull Molecular J-Aggregates by First-Principles Simulations; Guerrini M., Calzolari A., Corni S.; ACS Omega (3); 10481-10486 (2018) 10.1021/acsomega.8b01457

Radical-lanthanide ferromagnetic interaction in a T bIII bis-phthalocyaninato complex; Komijani D., Ghirri A., Bonizzoni C., Klyatskaya S., Moreno-Pineda E., Ruben M., Soncini A., Affronte M., Hill S.; Physical Review Materials (2); 024405 (2018) 10.1103/PhysRevMaterials.2.024405

Interaction-Driven Giant Orbital Magnetic Moments in Carbon Nanotubes; Island J., Ostermann M., Aspitarte L., Minot E., Varsano D., Molinari E., Rontani M., Steele G.; Physical Review Letters (121); 127704 (2018) 10.1103/PhysRevLett.121.127704

Interplay between structure and relaxation in polyurea networks: the point of view from a novel method of cooperativity analysis of dielectric response; Sebastián N., Contal C., Sánchez-Ferrer A., Pieruccini M.; Soft Matter (14); 7839-7849 (2018) 10.1039/c8sm01113c

Magnetic Shape Memory Turns to Nano: Microstructure Controlled Actuation of Free-Standing Nanodisks; Campanini M., Nasi L., Fabbrici S., Casoli F., Celegato F., Barrera G., Chiesi V., Bedogni E., Magén C., Grillo V., Bertoni G., Righi L., Tiberto P., Albertini F.; Small (14); 1803027 (2018) 10.1002/smll.201803027

Effects of the peptide Magainin H2 on Supported Lipid Bilayers studied by different biophysical techniques; Marín-Medina N., Mescola A., Alessandrini A.; Biochimica et Biophysica Acta - Biomembranes (1860); 2635-2643 (2018) 10.1016/j.bbamem.2018.10.003

Angle-resolved photoemission spectroscopy from first-principles quantum Monte Carlo; Barborini M., Sorella S., Rontani M., Corni S.; Journal of Chemical Physics (149); 154102 (2018) 10.1063/1.5038864

Thermally Activated Delayed Fluorescence Mediated through the Upper Triplet State Manifold in Non-Charge-Transfer Star-Shaped Triphenylamine-Carbazole Molecules; Pander P., Motyka R., Zassowski P., Etherington M., Varsano D., Da Silva T., Caldas M., Data P., Monkman A.; Journal of Physical Chemistry C (122); 23934-23942 (2018) 10.1021/acs.jpcc.8b07610

Manipulating azobenzene photoisomerization through strong light–molecule coupling; Fregoni J., Granucci G., Coccia E., Persico M., Corni S.; Nature Communications (9); 4688 (2018) 10.1038/s41467-018-06971-y

Microwave dual-mode resonators for coherent spin-photon coupling; Bonizzoni C., Troiani F., Ghirri A., Affronte M.; Journal of Applied Physics (124); 194501 (2018) 10.1063/1.5050869

Colloidal Au/iron oxide nanocrystal heterostructures: magnetic, plasmonic and magnetic hyperthermia properties; Vita F., Innocenti C., Secchi A., Albertini F., Grillo V., Fiore A., Cozzoli P.D., De Julián Fernández C.; Journal of Materials Chemistry C (6); 12329-12340 (2018) 10.1039/C8TC01788C

Effects of spin-orbit coupling on the optical response of a material; Kim T., Ferretti A., Park C.; Physical Review B (98); 245410 (2018) 10.1103/PhysRevB.98.245410

Phosphorus adsorption on fe(110): An ab initio comparative study of iron passivation by different adsorbates; Fatti G., Restuccia P., Calandra C., Righi M.C.; Journal of Physical Chemistry C (122); 28105-28112 (2018) 10.1021/acs.jpcc.8b08831

Emerging materials for tailorable nanophotonic devices; Wang Z., Shah D., Chaudhuri K., Catellani A., Alhabeb M., Reddy H., Meng X., Azzam S.I., Kinsey N., Kildishev A.V., Kim Y.L., Shalaev V.M., Calzolari A., Gogotsi Y., Boltasseva A.; 2018 12th International Congress on Artificial Materials for Novel Wave Phenomena, METAMATERIALS 2018 58-60 8534052 (2018) 10.1109/MetaMaterials.2018.8534052

Erratum to: Termini effects on the optical properties of graphene nanoribbons (The European Physical Journal B, (2018), 91, 11, (286), 10.1140/epjb/e2018-90179-4); Cardoso C., Ferretti A., Prezzi D.; European Physical Journal B (91); 320 (2018) 10.1140/epjb/e2018-90692-4

The complex conformational dynamics of neuronal calcium sensor-1: A single molecule perspective; Choudhary D., Kragelund B., Heidarsson P., Cecconi C.; Frontiers in Molecular Neuroscience (11); 468 (2018) 10.3389/fnmol.2018.00468

Twisting neutrons may reveal their internal structure; Larocque H., Kaminer I., Grillo V., Boyd R.W., Karimi E.; Nature Physics (14); (2018) 10.1038/nphys4322x

Salt Bridges Regulate in Silico Dimers Formation for β2-Microglobulin Amyloidogenic Variants; Maschio M.C., Brancolini G., Corni S.; Journal of Web Engineering (6); 35-60 (2018) 10.13052/jsame2245-4551.6.003

Investigation of Ni@CoO core-shell nanoparticle films synthesized by sequential layer deposition; Spadaro M., Luches P., Benedetti F., Valeri S., Turchini S., Bertoni G., Ferretti A., Capetti E., Ponti A., D'Addato S.; Applied Surface Science (396); 1860-1865 (2017) 10.1016/j.apsusc.2016.05.177

Structure, interface abruptness and strain relaxation in self-assisted grown InAs/GaAs nanowires; Frigeri C., Scarpellini D., Fedorov A., Bietti S., Somaschini C., Grillo V., Esposito L., Salvalaglio M., Marzegalli A., Montalenti F., Sanguinetti S.; Applied Surface Science (395); 29-36 (2017) 10.1016/j.apsusc.2016.06.005

Theoretical description of protein field effects on electronic excitations of biological chromophores; Varsano D., Caprasecca S., Coccia E.; Journal of Physics Condensed Matter (29); 013002 (2017) 10.1088/0953-8984/29/1/013002

Spin polarisation with electron Bessel beams; Schattschneider P., Grillo V., Aubry D.; Ultramicroscopy (174); 8-13 (2017) 10.1016/j.ultramic.2016.11.027

Editorial; Dinescu M., D'Addato S., Giapintzakis I., Wójcik M.; Applied Surface Science (396); 1849 (2017) 10.1016/j.apsusc.2016.11.191

Brillouin light scattering studies of 2D magnonic crystals; Tacchi S., Gubbiotti G., Madami M., Carlotti G.; Journal of Physics Condensed Matter (29); 073001 (2017) 10.1088/1361-648X/29/7/073001

Effects of Water Intercalation and Tribochemistry on MoS2 Lubricity: An Ab Initio Molecular Dynamics Investigation; Levita G., Righi M.; ChemPhysChem (18); 1475-1480 (2017) 10.1002/cphc.201601143

Local spin dynamics of iron oxide magnetic nanoparticles dispersed in different solvents with variable size and shape: A ¹H NMR study; Basini M., Orlando T., Arosio P., Casula M., Espa D., Murgia S., Sangregorio C., Innocenti C., Lascialfari A.; Journal of Chemical Physics (146); 034703 (2017) 10.1063/1.4973979

Origins and demonstrations of electrons with orbital angular momentum; McMorran B., Agrawal A., Ercius P., Grillo V., Herzing A., Harvey T., Linck M., Pierce J.; Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences (375); 20150434 (2017) 10.1098/rsta.2015.0434

Fabrication and characterization of nanometer-sized gaps in suspended few-layer graphene devices; Lumetti S., Martini L., Candini A.; Semiconductor Science and Technology (32); 024002 (2017) 10.1088/1361-6641/32/2/024002

Regularized perturbative series for the ionization potential of atomic ions; Gil G., González A.; Canadian Journal of Physics (95); 184-189 (2017) 10.1139/cjp-2016-0255

Cerium-doped bioactive 45S5 glasses: spectroscopic, redox, bioactivity and biocatalytic properties; Nicolini V., Malavasi G., Menabue L., Lusvardi G., Benedetti F., Valeri S., Luches P.; Journal of Materials Science (52); 8845-8857 (2017) 10.1007/s10853-017-0867-2

Surface passivation by graphene in the lubrication of iron: A comparison with bronze; Marchetto D., Restuccia P., Ballestrazzi A., Righi M., Rota A., Valeri S.; Carbon (116); 375-380 (2017) 10.1016/j.carbon.2017.02.011

Fibrillation-prone conformations of the amyloid-β-42 peptide at the gold/water interface; Bellucci L., Bussi G., Di Felice R., Corni S.; Nanoscale (9); 2279-2290 (2017) 10.1039/c6nr06010b

Structural Determinants of Constitutive Activation of Gα Proteins: Transducin as a Paradigm; Felline A., Mariani S., Raimondi F., Bellucci L., Fanelli F.; Journal of Chemical Theory and Computation (13); 886-899 (2017) 10.1021/acs.jctc.6b00813

Noisy quantum walks of two indistinguishable interacting particles; Siloi I., Benedetti C., Piccinini E., Piilo J., Maniscalco S., Paris M.G.A., Bordone P.; Physical Review A (95); 022106 (2017) 10.1103/PhysRevA.95.022106

Equation of motion for the solvent polarization apparent charges in the polarizable continuum model: Application to time-dependent CI; Pipolo S., Corni S., Cammi R.; Journal of Chemical Physics (146); 064116 (2017) 10.1063/1.4975620

Manipulating spin transfer torque with light; Vendelbjerg K., Rontani M.; Superlattices and Microstructures (108); 64-72 (2017) 10.1016/j.spmi.2016.12.047

Realization of electron vortices with large orbital angular momentum using miniature holograms fabricated by electron beam lithography; Mafakheri E., Tavabi A., Lu P., Balboni R., Venturi F., Menozzi C., Gazzadi G., Frabboni S., Sit A., Dunin-Borkowski R., Karimi E., Grillo V.; Applied Physics Letters (110); 093113 (2017) 10.1063/1.4977879

Stern-Gerlach-like approach to electron orbital angular momentum measurement; Harvey T., Grillo V., McMorran B.; Physical Review A (95); 021801 (2017) 10.1103/PhysRevA.95.021801

GPU-accelerated algorithms for many-particle continuous-time quantum walks; Piccinini E., Benedetti C., Siloi I., Paris M., Bordone P.; Computer Physics Communications (215); 235-245 (2017) 10.1016/j.cpc.2017.02.014

Excited rotational states in doped ⁴He clusters: A diffusion Monte Carlo analysis; Coccia E.; Journal of Low Temperature Physics (188); 22-38 (2017) 10.1007/s10909-017-1767-1

On the renormalization of contact interactions for the configuration-interaction method in two-dimensions; Rontani M., Eriksson G., Åberg S., Reimann S.M.; Journal of Physics B: Atomic, Molecular and Optical Physics (50); 065301 (2017) 10.1088/1361-6455/aa606a

Spin polarisation with electron Bessel beams; Schattschneider P., Grillo V., Aubry D.; Ultramicroscopy (176); 188-193 (2017) 10.1016/j.ultramic.2016.11.029

Citrate-stabilized gold nanoparticles hinder fibrillogenesis of a pathological variant of β2-microglobulin; Cantarutti C., Raimondi S., Brancolini G., Corazza A., Giorgetti S., Ballico M., Zanini S., Palmisano G., Bertoncin P., Marchese L., Patrizia Mangione P., Bellotti V., Corni S., Fogolari F., Esposito G.; Nanoscale (9); 3941-3951 (2017) 10.1039/c6nr09362k

Many-body correlations and coupling in benzene-dithiol junctions; Rangel T., Ferretti A., Olevano V., Rignanese G.; Physical Review B (95); 115137 (2017) 10.1103/PhysRevB.95.115137

Plasmonic properties of refractory titanium nitride; Catellani A., Calzolari A.; Physical Review B (95); 115145 (2017) 10.1103/PhysRevB.95.115145

Computational evidence support the hypothesis of neuroglobin also acting as an electron transfer species; Paltrinieri L., Di Rocco G., Battistuzzi G., Borsari M., Sola M., Ranieri A., Zanetti-Polzi L., Daidone I., Bortolotti C.; Journal of Biological Inorganic Chemistry (22); 615-623 (2017) 10.1007/s00775-017-1455-2

FePc adsorption on the moiré superstructure of graphene intercalated with a cobalt layer; Avvisati G., Lisi S., Gargiani P., Della Pia A., De Luca O., Pacilé D., Cardoso C., Varsano D., Prezzi D., Ferretti A., Betti M.G.; Journal of Physical Chemistry C (121); 1639-1647 (2017) 10.1021/acs.jpcc.6b09875

Ultra-conformable Organic Field-Effect Transistors and circuits for epidermal electronic applications; Lai S., Zucca A., Cosseddu P., Greco F., Mattoli V., Bonfiglio A.; Organic Electronics (46); 60-67 (2017) 10.1016/j.orgel.2017.03.038

Codoping and interstitial deactivation in the control of amphoteric Li dopant in ZNO for the realization of p-type TCOS; Catellani A., Calzolari A.; Materials (10); 332 (2017) 10.3390/ma10040332

Combining inkjet printing and chemical vapor deposition for fabricating low voltage, organic field-effect transistors on flexible substrates; Lai S., Cosseddu P., Zucca A., Loi A., Bonfiglio A.; Thin Solid Films (631); 124-131 (2017) 10.1016/j.tsf.2017.04.021

A method for direct contact resistance evaluation in low voltage coplanar organic field-effect transistors; Lai S., Cosseddu P., Bonfiglio A.; Applied Physics Letters (110); 153304 (2017) 10.1063/1.4980069

New experiments with a double crystal electron interferometer ∗; Tavabi A.H., Duchamp M., Grillo V., Dunin-Borkowski R.E., Pozzi G.; EPJ Applied Physics (78); 10701 (2017) 10.1051/epjap/2017160394

The role of humidity and oxygen on MoS2 thin films deposited by RF PVD magnetron sputtering; Serpini E., Rota A., Ballestrazzi A., Marchetto D., Gualtieri E., Valeri S.; Surface and Coatings Technology (319); 345-352 (2017) 10.1016/j.surfcoat.2017.04.006

AFLOWπ: A minimalist approach to high-throughput ab initio calculations including the generation of tight-binding hamiltonians; Supka A., Lyons T., Liyanage L., D'Amico P., Al Rahal Al Orabi R., Mahatara S., Gopal P., Toher C., Ceresoli D., Calzolari A., Curtarolo S., Nardelli M., Fornari M.; Computational Materials Science (136); 76-84 (2017) 10.1016/j.commatsci.2017.03.055

Doping, co-doping, and defect effects on the plasmonic activity of ZnO-based transparent conductive oxides; Calzolari A., Catellani A.; Proceedings of SPIE - The International Society for Optical Engineering (10105); 101050G (2017) 10.1117/12.2250736

Measuring the orbital angular momentum spectrum of an electron beam; Grillo V., Tavabi A.H., Venturi F., Larocque H., Balboni R., Gazzadi G.C., Frabboni S., Lu P.H., Mafakheri E., Bouchard F., Dunin-Borkowski R.E., Boyd R.W., Lavery M.P.J., Padgett M.J., Karimi E.; Nature Communications (8); 15536 (2017) 10.1038/ncomms15536

High Photoresponsivity in Graphene Nanoribbon Field-Effect Transistor Devices Contacted with Graphene Electrodes; Candini A., Martini L., Chen Z., Mishra N., Convertino D., Coletti C., Narita A., Feng X., Müllen K., Affronte M.; Journal of Physical Chemistry C (121); 10620-10625 (2017) 10.1021/acs.jpcc.7b03401

Comment on "temperature fluctuations and the thermodynamic determination of the cooperativity length in glass forming liquids" (J. Chem. Phys. 146, 104501 (2017)); Alessandrini A., Pieruccini M., Tombari E.; Journal of Chemical Physics (146); 227101 (2017) 10.1063/1.4985198

CRISPR-Cas9 Mediated DNA Unwinding Detected Using Site-Directed Spin Labeling; Tangprasertchai N., Di Felice R., Zhang X., Slaymaker I., Vazquez Reyes C., Jiang W., Rohs R., Qin P.; ACS Chemical Biology (12); 1489-1493 (2017) 10.1021/acschembio.6b01137

Designing a molecular magnetic button based on 4d and 5d transition-metal phthalocyanines; Ferriani P., Heinze S., Bellini V.; Scientific Reports (7); 3647 (2017) 10.1038/s41598-017-03920-5

The NIST compilation of ionization potentials revisited (I): From He-like to Xe-like ions; Gil G., Gonzalez A.; Canadian Journal of Physics (95); 479-497 (2017) 10.1139/cjp-2016-0512

Landau-Zener Transition in a Continuously Measured Single-Molecule Spin Transistor; Troiani F., Godfrin C., Thiele S., Balestro F., Wernsdorfer W., Klyatskaya S., Ruben M., Affronte M.; Physical Review Letters (118); 257701 (2017) 10.1103/PhysRevLett.118.257701

Theory of photon-driven correlated electrons in one dimension; Puviani M., Manghi F.; Journal of Physics: Conference Series (841); 012021 (2017) 10.1088/1742-6596/841/1/012021

Dynamics and control of edge states in laser-driven graphene nanoribbons; Puviani M., Manghi F., Bertoni A.; Physical Review B (95); 235430 (2017) 10.1103/PhysRevB.95.235430

Impact of molecular flexibility on the site energy shift of chlorophylls in Photosystem II; Narzi D., Coccia E., Manzoli M., Guidoni L.; Biophysical Chemistry (229); 93-98 (2017) 10.1016/j.bpc.2017.06.013

Ab Initio Study of Electronic Transport in Cubic-HfO2 Grain Boundaries; Degoli E., Luppi E., Capron N.; Journal of Nanomaterials (2017); 2404378 (2017) 10.1155/2017/2404378

Lateral Fusion of Chemical Vapor Deposited N = 5 Armchair Graphene Nanoribbons; Chen Z., Wang H.I., Bilbao N., Teyssandier J., Prechtl T., Cavani N., Tries A., Biagi R., De Renzi V., Feng X., Kläui M., De Feyter S., Bonn M., Narita A., Müllen K.; Journal of the American Chemical Society (139); 9483-9486 (2017) 10.1021/jacs.7b05055

Reply to “Molecular mechanics models for the image charge”; Corni S.; Journal of Computational Chemistry (38); 2130-2133 (2017) 10.1002/jcc.24855

How to Identify Plasmons from the Optical Response of Nanostructures; Zhang R., Bursi L., Cox J.D., Cui Y., Krauter C.M., Alabastri A., Manjavacas A., Calzolari A., Corni S., Molinari E., Carter E.A., García De Abajo F.J., Zhang H., Nordlander P.; ACS Nano (11); 7321-7335 (2017) 10.1021/acsnano.7b03421

Role of Quantum-Confinement in Anatase Nanosheets; Varsano D., Giorgi G., Yamashita K., Palummo M.; Journal of Physical Chemistry Letters (8); 3867-3873 (2017) 10.1021/acs.jpclett.7b01717

Giant modulation of the electronic band gap of carbon nanotubes by dielectric screening; Aspitarte L., McCulley D., Bertoni A., Island J., Ostermann M., Rontani M., Steele G., Minot E.; Scientific Reports (7); 8828 (2017) 10.1038/s41598-017-09372-1

Strain-engineered arrays of InAs quantum dots on GaAs(001): Epitaxial growth and modeling; Latini V., Placidi E., Magri R., Tisbi E., Patella F., Arciprete F.; Nanoscience and Nanotechnology Letters (9); 1083-1094 (2017) 10.1166/nnl.2017.2444

Second harmonic generation in silicon based heterostructures: The role of strain and symmetry; Bertocchi M., Degoli E., Véniard V., Luppi E., Ossicini S.; Nanoscience and Nanotechnology Letters (9); 1102-1107 (2017) 10.1166/nnl.2017.2445

Exact long-wavelength plasmon dispersion on a ring with soft Coulomb interactions; Grasselli F., Bertoni A., Goldoni G.; Physica Scripta (92); 095802 (2017) 10.1088/1402-4896/aa81ef

Doped and codoped silicon nanocrystals: The role of surfaces and interfaces; Marri I., Degoli E., Ossicini S.; Progress in Surface Science (92); 375-408 (2017) 10.1016/j.progsurf.2017.07.003

Theoretical S1 →s0 Absorption Energies of the Anionic Forms of Oxyluciferin by Variational Monte Carlo and Many-Body Green's Function Theory; Coccia E., Varsano D., Guidoni L.; Journal of Chemical Theory and Computation (13); 4357-4367 (2017) 10.1021/acs.jctc.7b00505

Towards a holographic approach to spherical aberration correction in scanning transmission electron microscopy; Grillo V., Tavabi A.H., Yucelen E., Lu P.H., Venturi F., Larocque H., Jin L., Savenko A., Gazzadi G.C., Balboni R., Frabboni S., Tiemeijer P., Dunin-Borkowski R.E., Karimi E.; Optics Express (25); 21851-21860 (2017) 10.1364/OE.25.021851

Thermoelectric figure of merit of polymeric systems for low-power generators; Cigarini L., Ruini A., Catellani A., Calzolari A.; Journal of Physics D: Applied Physics (50); 395502 (2017) 10.1088/1361-6463/aa84f7

Ab initio electronic transport and thermoelectric properties of solids from full and range-separated hybrid functionals; Sansone G., Ferretti A., Maschio L.; Journal of Chemical Physics (147); 114101 (2017) 10.1063/1.4986398

Alloy multilayers and ternary nanostructures by direct-write approach; Porrati F., Sachser R., Gazzadi G., Frabboni S., Terfort A., Huth M.; Nanotechnology (28); 415302 (2017) 10.1088/1361-6528/aa8619

Observation of nanoscale magnetic fields using twisted electron beams; Grillo V., Harvey T.R., Venturi F., Pierce J.S., Balboni R., Bouchard F., Gazzadi G.C., Frabboni S., Tavabi A.H., Li Z.A., Dunin-Borkowski R.E., Boyd R.W., McMorran B.J., Karimi E.; Nature Communications (8); 689 (2017) 10.1038/s41467-017-00829-5

From capacitance-controlled to diffusion-controlled electrochromism in one-dimensional shape-tailored tungsten oxide nanocrystals; Giannuzzi R., Scarfiello R., Sibillano T., Nobile C., Grillo V., Giannini C., Cozzoli P.D., Manca M.; Nano Energy (41); 634-645 (2017) 10.1016/j.nanoen.2017.09.058

Magnetic Noise and Spin-Wave Eigenmodes in a Magnetic Tunnel Junction Read Head; Pauselli M., Stankiewicz A., Zhang Y., Carlotti G.; IEEE Transactions on Magnetics (53); 7924220 (2017) 10.1109/TMAG.2017.2703108

Linear and non-linear dynamics of the free and reference layers in a sub-40 nm magnetic tunnel junction: A micromagnetic study; Pauselli M., Stankiewicz A., Carlotti G.; Journal of Physics D: Applied Physics (50); 455007 (2017) 10.1088/1361-6463/aa8dda

Magnetization dynamics of single-domain nanodots and minimum energy dissipation during either irreversible or reversible switching; Madami M., Gubbiotti G., Tacchi S., Carlotti G.; Journal of Physics D: Applied Physics (50); 453002 (2017) 10.1088/1361-6463/aa89da

Spectroscopic identification of the chemical interplay between defects and dopants in Al-doped ZnO; Benedetti S., Valenti I., Di Bona A., Vinai G., Castan-Guerrero C., Valeri S., Catellani A., Ruini A., Torelli P., Calzolari A.; Physical Chemistry Chemical Physics (19); 29364-29371 (2017) 10.1039/c7cp05864k

Carrier Multiplication in Silicon Nanocrystals: Theoretical Methodologies and Role of the Passivation; Marri I., Govoni M., Ossicini S.; Physica Status Solidi (C) Current Topics in Solid State Physics (14); 1700198 (2017) 10.1002/pssc.201700198

Carbon nanotubes as excitonic insulators; Varsano D., Sorella S., Sangalli D., Barborini M., Corni S., Molinari E., Rontani M.; Nature Communications (8); 1461 (2017) 10.1038/s41467-017-01660-8

Dynamics of copropagating edge states in a multichannel Mach-Zender interferometer; Bellentani L., Beggi A., Bordone P., Bertoni A.; Journal of Physics: Conference Series (906); 012027 (2017) 10.1088/1742-6596/906/1/012027

Phase retrieval of an electron vortex beam using diffraction holography; Venturi F., Campanini M., Gazzadi G., Balboni R., Frabboni S., Boyd R., Dunin-Borkowski R., Karimi E., Grillo V.; Applied Physics Letters (111); 223101 (2017) 10.1063/1.4998595

Probing optical excitations in chevron-like armchair graphene nanoribbons; Denk R., Lodi-Rizzini A., Wang S., Hohage M., Zeppenfeld P., Cai J., Fasel R., Ruffieux P., Berger R.F.J., Chen Z., Narita A., Feng X., Müllen K., Biagi R., De Renzi V., Prezzi D., Ruini A., Ferretti A.; Nanoscale (9); 18326-18333 (2017) 10.1039/c7nr06175g

Advanced capabilities for materials modelling with Quantum ESPRESSO; Giannozzi P., Andreussi O., Brumme T., Bunau O., Buongiorno Nardelli M., Calandra M., Car R., Cavazzoni C., Ceresoli D., Cococcioni M., Colonna N., Carnimeo I., Dal Corso A., De Gironcoli S., Delugas P., Distasio R.A., Ferretti A., Floris A., Fratesi G., Fugallo G., Gebauer R., Gerstmann U., Giustino F., Gorni T., Jia J., Kawamura M., Ko H.Y., Kokalj A., Kücükbenli E., Lazzeri M., Marsili M., Marzari N., Mauri F., Nguyen N.L., Nguyen H.V., Otero-De-La-Roza A., Paulatto L., Poncé S., Rocca D., Sabatini R., Santra B., Schlipf M., Seitsonen A.P., Smogunov A., Timrov I., Thonhauser T., Umari P., Vast N., Wu X., Baroni S.; Journal of Physics Condensed Matter (29); 465901 (2017) 10.1088/1361-648X/aa8f79

New energy with ZnS: Novel applications for a standard transparent compound; D'Amico P., Calzolari A., Ruini A., Catellani A.; Scientific Reports (7); 16805 (2017) 10.1038/s41598-017-17156-w

Tuning the Work Function of Si(100) Surface by Halogen Absorption: A DFT Study; Bertocchi M., Amato M., Marri I., Ossicini S.; Physica Status Solidi (C) Current Topics in Solid State Physics (14); 1700193 (2017) 10.1002/pssc.201700193

Hartree and Exchange in Ensemble Density Functional Theory: Avoiding the Nonuniqueness Disaster; Gould T., Pittalis S.; Physical Review Letters (119); 243001 (2017) 10.1103/PhysRevLett.119.243001

Current trends in the physics of nanoscale friction; Manini N., Mistura G., Paolicelli G., Tosatti E., Vanossi A.; Advances in Physics: X (2); 569-590 (2017) 10.1080/23746149.2017.1330123

Generalized optical angular momentum sorter and its application to high-dimensional quantum cryptography; Larocque H., Gagnon-Bischoff J., Mortimer D., Zhang Y., Bouchard F., Upham J., Grillo V., Boyd R.W., Karimi E.; Optics Express (25); 19832-19843 (2017) 10.1364/OE.25.019832

Raman Spectroscopy of Graphene Nanoribbons: A Review; Casiraghi C., Prezzi D.; Carbon Nanostructures (0); 19-30 (2017) 10.1007/978-3-319-58134-7_2

Fermionic correlations as metric distances: A useful tool for materials science; Marocchi S., Pittalis S., D'Amico I.; Physical Review Materials (1); 043801 (2017) 10.1103/PhysRevMaterials.1.043801

Steering the magnetic properties of Ni/NiO/CoO core-shell nanoparticle films: The role of core-shell interface versus interparticle interactions; Ponti A., Ferretti A., Capetti E., Spadaro M., Bertoni G., Grillo V., Luches P., Valeri S., D'Addato S.; Physical Review Materials (1); 036001 (2017) 10.1103/PhysRevMaterials.1.036001

Metastable configurations of a finite-size chain of classical spins within the one-dimensional chiral XY-model; Popov A., Gloria Pini M., Rettori A.; Journal of Magnetism and Magnetic Materials (402); 55-63 (2016) 10.1016/j.jmmm.2015.11.030

Comment on "adsorption of hydrogen and hydrocarbon molecules on SiC(001)" by Pollmann et al. (Surf. Sci. Rep. 69 (2014) 55-104); Wimmer E., Celasco E., Vattuone L., Savio L., Tejeda A., Silly M., D'Angelo M., Sirotti F., Rocca M., Catellani A., Galli G., Douillard L., Semond F., Aristov V.Y., Soukiassian P.; Surface Science (644); L170-L171 (2016) 10.1016/j.susc.2015.08.025

Neural networks with excitatory and inhibitory components: Direct and inverse problems by a mean-field approach; Di Volo M., Burioni R., Casartelli M., Livi R., Vezzani A.; Physical Review E (93); 012305 (2016) 10.1103/PhysRevE.93.012305

Conformations of Human Telomeric G-Quadruplex Studied Using a Nucleotide-Independent Nitroxide Label; Zhang X., Xu C.X., Di Felice R., Sponer J., Islam B., Stadlbauer P., Ding Y., Mao L., Mao Z.W., Qin P.Z.; Biochemistry (55); 360-372 (2016) 10.1021/acs.biochem.5b01189

Insigths into the Tribochemistry of Silicon-doped Carbon-Based Films by Ab Initio Analysis of Water-Surface Interactions; Kajita S., Righi M.; Tribology Letters (61); 17 (2016) 10.1007/s11249-015-0631-1

Modeling and simulation of protein-surface interactions: Achievements and challenges; Ozboyaci M., Kokh D.B., Corni S., Wade R.C.; Quarterly Reviews of Biophysics (49); e4 (2016) 10.1017/S0033583515000256

Easy fabrication of aligned PLLA nanofibers-based 2D scaffolds suitable for cell contact guidance studies; Mohanraj J., Puzzi L., Capria E., Corvaglia S., Casalis L., Mestroni L., Sbaizero O., Fraleoni-Morgera A.; Materials Science and Engineering C (62); 301-306 (2016) 10.1016/j.msec.2015.12.042

How single node dynamics enhances synchronization in neural networks with electrical coupling; Bonacini E., Burioni R., Di Volo M., Groppi M., Soresina C., Vezzani A.; Chaos, Solitons and Fractals (85); 32-43 (2016) 10.1016/j.chaos.2016.01.009

Excitation energy-transfer in functionalized nanoparticles: Going beyond the Förster approach; Gil G., Corni S., Delgado A., Bertoni A., Goldoni G.; Journal of Chemical Physics (144); 074101 (2016) 10.1063/1.4941565

Work function bowing in Si1-xGex heterostructures: Ab initio results; Amato M., Bertocchi M., Ossicini S.; Journal of Applied Physics (119); 085705 (2016) 10.1063/1.4942526

Spin-communication channels between Ln(III) bis-phthalocyanines molecular nanomagnets and a magnetic substrate; Candini A., Klar D., Marocchi S., Corradini V., Biagi R., De Renzi V., Del Pennino U., Troiani F., Bellini V., Klyatskaya S., Ruben M., Kummer K., Brookes N.B., Huang H., Soncini A., Wende H., Affronte M.; Scientific Reports (6); 21740 (2016) 10.1038/srep21740

NMR relaxation induced by iron oxide particles: Testing theoretical models; Gossuin Y., Orlando T., Basini M., Henrard D., Lascialfari A., Mattea C., Stapf S., Vuong Q.; Nanotechnology (27); 155706 (2016) 10.1088/0957-4484/27/15/155706

AFM-based tribological study of nanopatterned surfaces: The influence of contact area instabilities; Rota A., Serpini E., Gazzadi G., Valeri S.; Journal of Physics Condensed Matter (28); 134008 (2016) 10.1088/0953-8984/28/13/134008

Resonant tunneling and the quasiparticle lifetime in graphene/boron nitride/graphene heterostructures; Guerrero-Becerra K., Tomadin A., Polini M.; Physical Review B (93); 125417 (2016) 10.1103/PhysRevB.93.125417

The effect of composition on structural, thermal, redox and bioactive properties of Ce-containing glasses; Nicolini V., Varini E., Malavasi G., Menabue L., Menziani M.C., Lusvardi G., Pedone A., Benedetti F., Luches P.; Materials and Design (97); 73-85 (2016) 10.1016/j.matdes.2016.02.056

Exciton-exciton annihilation and biexciton stimulated emission in graphene nanoribbons; Soavi G., Dal Conte S., Manzoni C., Viola D., Narita A., Hu Y., Feng X., Hohenester U., Molinari E., Prezzi D., Müllen K., Cerullo G.; Nature Communications (7); 11010 (2016) 10.1038/ncomms11010

Electron transfer in nanobiodevices; Alessandrini A., Facci P.; European Polymer Journal (83); 450-466 (2016) 10.1016/j.eurpolymj.2016.03.028

Tribological characteristics of few-layer graphene over Ni grain and interface boundaries; Tripathi M., Awaja F., Paolicelli G., Bartali R., Iacob E., Valeri S., Ryu S., Signetti S., Speranza G., Pugno N.M.; Nanoscale (8); 6646-6658 (2016) 10.1039/c5nr06273j

Erratum to: Insights into the Tribochemistry of Silicon-doped Carbon-Based Films by Ab Initio Analysis of Water-Surface Interactions (Tribol Lett (2016) 61:17 (DOI 10.1007/s11249-015-0631-1)); Kajita S., Righi M.C.; Tribology Letters (62); 13 (2016) 10.1007/s11249-016-0657-z

Neutral, Anionic, and Cationic Manganese Dimers through Density Functional Theory; Barborini M.; Journal of Physical Chemistry A (120); 1716-1726 (2016) 10.1021/acs.jpca.5b12169

Reducible oxides as ultrathin epitaxial films; Luches P., D’Addato S.; Springer Series in Materials Science (234); 119-148 (2016) 10.1007/978-3-319-28332-6_4

Fabrication of three terminal devices by ElectroSpray deposition of graphene nanoribbons; Fantuzzi P., Martini L., Candini A., Corradini V., Del Pennino U., Hu Y., Feng X., Müllen K., Narita A., Affronte M.; Carbon (104); 112-118 (2016) 10.1016/j.carbon.2016.03.052

A fundamental mechanism for carbon-film lubricity identified by means of ab initio molecular dynamics; Kajita S., Righi M.C.; Carbon (103); 193-199 (2016) 10.1016/j.carbon.2016.02.078

Tailoring the core electron density in modulation-doped core-multi-shell nanowires; Buscemi F., Royo M., Goldoni G., Bertoni A.; Nanotechnology (27); 195201 (2016) 10.1088/0957-4484/27/19/195201

Proton NMR study of spin dynamics in the magnetic organic chains M (hfac)3 NITEt (M=Eu3+,Gd3+); Mariani M., Lascialfari A., Caneschi A., Ammannato L., Gatteschi D., Rettori A., Pini M.G., Cucci C., Borsa F.; Physical Review B (93); 134410 (2016) 10.1103/PhysRevB.93.134410

Non-Markovian continuous-time quantum walks on lattices with dynamical noise; Benedetti C., Buscemi F., Bordone P., Paris M.G.A.; Physical Review A (93); 042313 (2016) 10.1103/PhysRevA.93.042313

Electronic Structure Evolution during the Growth of Graphene Nanoribbons on Au(110); Della Pia A., Avvisati G., Ourdjini O., Cardoso C., Varsano D., Prezzi D., Ferretti A., Mariani C., Betti M.; Journal of Physical Chemistry C (120); 7323-7331 (2016) 10.1021/acs.jpcc.5b11884

Lepidocrocite-like Tio2 and Tio2(110)-(1 £ 2) supported on W(100); Harrison G.T., Spadaro M.C., Pang C.L., Grinter D.C., Yim C.M., Luches P., Thornton G.; Materials Science and Technology (United Kingdom) (32); 203-208 (2016) 10.1179/1743284715Y.0000000086

The dynamics of the β-propeller domain in Kelch protein KLHL40 changes upon nemaline myopathy-associated mutation; Lambrughi M., Lucchini M., Pignataro M., Sola M., Bortolotti C.; RSC Advances (6); 34043-34054 (2016) 10.1039/c6ra06312h

On the magnetic anisotropy and nuclear relaxivity effects of Co and Ni doping in iron oxide nanoparticles; Orlando T., Albino M., Orsini F., Innocenti C., Basini M., Arosio P., Sangregorio C., Corti M., Lascialfari A.; Journal of Applied Physics (119); 134301 (2016) 10.1063/1.4945026

Charged-particle spectroscopy in organic semiconducting single crystals; Ciavatti A., Sellin P., Basiricò L., Fraleoni-Morgera A., Fraboni B.; Applied Physics Letters (108); 153301 (2016) 10.1063/1.4945597

Tailoring the sensing performances of an OFET-based biosensor; Lai S., Barbaro M., Bonfiglio A.; Sensors and Actuators, B: Chemical (233); 314-319 (2016) 10.1016/j.snb.2016.04.095

First-Principle Molecular Dynamics of Sliding Diamond Surfaces: Tribochemical Reactions with Water and Load Effects; Righi M.C., Zilibotti G., Corni S., Ferrario M., Bertoni C.M.; Journal of Low Temperature Physics (185); 174-182 (2016) 10.1007/s10909-016-1620-y

A dynamical approach to non-adiabatic electron transfers at the bio-inorganic interface; Zanetti-Polzi L., Corni S.; Physical Chemistry Chemical Physics (18); 10538-10549 (2016) 10.1039/c6cp00044d

Quantifying the Plasmonic Character of Optical Excitations in Nanostructures; Bursi L., Calzolari A., Corni S., Molinari E.; ACS Photonics (3); 520-525 (2016) 10.1021/acsphotonics.5b00688

Tribochemistry of graphene on iron and its possible role in lubrication of steel; Restuccia P., Righi M.; Carbon (106); 118-124 (2016) 10.1016/j.carbon.2016.05.025

Collective spin excitations in bicomponent magnonic crystals consisting of bilayer permalloy/Fe nanowires; Gubbiotti G., Tacchi S., Madami M., Carlotti G., Yang Z., Ding J., Adeyeye A.O., Kostylev M.; Physical Review B (93); 184411 (2016) 10.1103/PhysRevB.93.184411

Generation and application of bessel beams in electron microscopy; Grillo V., Harris J., Gazzadi G.C., Balboni R., Mafakheri E., Dennis M.R., Frabboni S., Boyd R.W., Karimi E.; Ultramicroscopy (166); 48-60 (2016) 10.1016/j.ultramic.2016.03.009

The interaction with gold suppresses fiber-like conformations of the amyloid β (16-22) peptide; Bellucci L., Ardèvol A., Parrinello M., Lutz H., Lu H., Weidner T., Corni S.; Nanoscale (8); 8737-8748 (2016) 10.1039/c6nr01539e

A comparative study on the functionality of S- and P-based lubricant additives by combined first principles and experimental analysis; Righi M., Loehlé S., De Barros Bouchet M., Mambingo-Doumbe S., Martin J.; RSC Advances (6); 47753-47760 (2016) 10.1039/c6ra07545b

Polarity Control in Group-III Nitrides beyond Pragmatism; Mohn S., Stolyarchuk N., Markurt T., Kirste R., Hoffmann M., Collazo R., Courville A., Di Felice R., Sitar Z., Vennéguès P., Albrecht M.; Physical Review Applied (5); 054004 (2016) 10.1103/PhysRevApplied.5.054004

Raman Fingerprints of Atomically Precise Graphene Nanoribbons; Verzhbitskiy I.A., De Corato M., Ruini A., Molinari E., Narita A., Hu Y., Schwab M.G., Bruna M., Yoon D., Milana S., Feng X., Müllen K., Ferrari A.C., Casiraghi C., Prezzi D.; Nano Letters (16); 3442-3447 (2016) 10.1021/acs.nanolett.5b04183

Quantum correlations of identical particles subject to classical environmental noise; Beggi A., Buscemi F., Bordone P.; Quantum Information Processing (15); 3711-3743 (2016) 10.1007/s11128-016-1334-8

S-induced modifications of the optoelectronic properties of ZnO mesoporous nanobelts; Fabbri F., Nasi L., Fedeli P., Ferro P., Salviati G., Mosca R., Calzolari A., Catellani A.; Scientific Reports (6); 27948 (2016) 10.1038/srep27948

Photoabsorption of Icosahedral Noble Metal Clusters: An Efficient TDDFT Approach to Large-Scale Systems; Baseggio O., De Vetta M., Fronzoni G., Stener M., Sementa L., Fortunelli A., Calzolari A.; Journal of Physical Chemistry C (120); 12773-12782 (2016) 10.1021/acs.jpcc.6b04709

Fabrication of FeSi and Fe3Si compounds by electron beam induced mixing of [Fe/Si]2 and [Fe3/Si]2 multilayers grown by focused electron beam induced deposition; Porrati F., Sachser R., Gazzadi G., Frabboni S., Huth M.; Journal of Applied Physics (119); 234306 (2016) 10.1063/1.4954067

Graphene and MoS2 interacting with water: A comparison by ab initio calculations; Levita G., Restuccia P., Righi M.C.; Carbon (107); 878-884 (2016) 10.1016/j.carbon.2016.06.072

Dopant-Induced Diffusion Processes at Metal-Oxide Interfaces Studied for Iron- and Chromium-Doped MgO/Mo(001) Model Systems; Benedetti S., Nilius N., Valeri S., Tosoni S., Albanese E., Pacchioni G.; Journal of Physical Chemistry C (120); 13604-13609 (2016) 10.1021/acs.jpcc.6b04182

Coherently coupling distinct spin ensembles through a high- Tc superconducting resonator; Ghirri A., Bonizzoni C., Troiani F., Buccheri N., Beverina L., Cassinese A., Affronte M.; Physical Review A (93); 063855 (2016) 10.1103/PhysRevA.93.063855

Extending the essential dynamics analysis to investigate molecular properties: Application to the redox potential of proteins; Zanetti-Polzi L., Corni S., Daidone I., Amadei A.; Physical Chemistry Chemical Physics (18); 18450-18459 (2016) 10.1039/c6cp03394f

Shear Piezoelectricity in Poly(vinylidenefluoride-co-trifluoroethylene): Full Piezotensor Coefficients by Molecular Modeling, Biaxial Transverse Response, and Use in Suspended Energy-Harvesting Nanostructures; Persano L., Catellani A., Dagdeviren C., Ma Y., Guo X., Huang Y., Calzolari A., Pisignano D.; Advanced Materials (28); 7633-7639 (2016) 10.1002/adma.201506381

Complex magnetic exchange coupling between co nanostructures and Ni(111) across epitaxial graphene; Barla A., Bellini V., Rusponi S., Ferriani P., Pivetta M., Donati F., Patthey F., Persichetti L., Mahatha S.K., Papagno M., Piamonteze C., Fichtner S., Heinze S., Gambardella P., Brune H., Carbone C.; ACS Nano (10); 1101-1107 (2016) 10.1021/acsnano.5b06410

Tunable spin-wave frequency gap in anisotropy-graded FePt films obtained by ion irradiation; Tacchi S., Pini M.G., Rettori A., Varvaro G., Di Bona A., Valeri S., Albertini F., Lupo P., Casoli F.; Physical Review B (94); 024432 (2016) 10.1103/PhysRevB.94.024432

First-Principles Photoemission Spectroscopy of DNA and RNA Nucleobases from Koopmans-Compliant Functionals; Nguyen N., Borghi G., Ferretti A., Marzari N.; Journal of Chemical Theory and Computation (12); 3948-3958 (2016) 10.1021/acs.jctc.6b00145

A Quasi-Free-Standing Single Layer of a B3N3-Doped Nanographene Molecule Deposited on Au(111) Single Crystals; Ciccullo F., Calzolari A., Píš I., Savu S., Krieg M., Bettinger H., Magnano E., Chassé T., Casu M.; Journal of Physical Chemistry C (120); 17645-17651 (2016) 10.1021/acs.jpcc.6b06237

Locality of correlation in density functional theory; Burke K., Cancio A., Gould T., Pittalis S.; Journal of Chemical Physics (145); 054112 (2016) 10.1063/1.4959126

Stability of the Dirac cone in artificial graphene formed in quantum wells: A computational many-electron study; Kylänpää I., Berardi F., Räsänen E., García-González P., Rozzi C.A., Rubio A.; New Journal of Physics (18); 083014 (2016) 10.1088/1367-2630/18/8/083014

Excitation-energy transfer paths from tryptophans to coordinated copper ions in engineered azurins: A source of observables for monitoring protein structural changes; Di Rocco G., Bernini F., Borsari M., Martinelli I., Bortolotti C.A., Battistuzzi G., Ranieri A., Caselli M., Sola M., Ponterini G.; Zeitschrift fur Physikalische Chemie (230); 1329-1349 (2016) 10.1515/zpch-2015-0749

Anomalous scaling and breakdown of conventional density functional theory methods for the description of Mott phenomena and stretched bonds; Ying Z.J., Brosco V., Lopez G.M., Varsano D., Gori-Giorgi P., Lorenzana J.; Physical Review B (94); 075154 (2016) 10.1103/PhysRevB.94.075154

Exchange bias and surface effects in bimagnetic CoO-core/Co0.5Ni0.5Fe2 O4 -shell nanoparticles; Lavorato G., Winkler E., Ghirri A., Lima E., Peddis D., Troiani H.E., Fiorani D., Agostinelli E., Rinaldi D., Zysler R.D.; Physical Review B (94); 054432 (2016) 10.1103/PhysRevB.94.054432

Erratum: Excitation energy-transfer in functionalized nanoparticles: Going beyond the Förster approach (The Journal of Chemical Physics (2016) 144 (074101) DOI: 10.1063/1.4941565); Gil G., Corni S., Delgado A., Bertoni A., Goldoni G.; Journal of Chemical Physics (145); 089902 (2016) 10.1063/1.4961651

Multimodel Approach to the Optical Properties of Molecular Dyes in Solution; Timrov I., Micciarelli M., Rosa M., Calzolari A., Baroni S.; Journal of Chemical Theory and Computation (12); 4423-4429 (2016) 10.1021/acs.jctc.6b00417

Unraveling the mark of surface defects on a spinterface: The nitronyl nitroxide/TiO2(110) interface; Kakavandi R., Calzolari A., Borozdina Y.B., Ravat P., Chassé T., Baumgarten M., Casu M.B.; Nano Research (9); 3515-3527 (2016) 10.1007/s12274-016-1228-1

Tailoring oxygen vacancies at ZnO(1 1 - 00) surface: An ab initio study; Korir K., Catellani A., Cicero G.; Journal of Applied Physics (120); 125301 (2016) 10.1063/1.4962861

Geometries of low spin states of multi-centre transition metal complexes through extended broken symmetry variational Monte Carlo; Barborini M., Guidoni L.; Journal of Chemical Physics (145); 124107 (2016) 10.1063/1.4963015

Stress-determined nucleation sites above GaAs-capped arrays of InAs quantum dots; Latini V., Placidi E., Arciprete F., Tisbi E., Patella F., Magri R.; Journal of Applied Physics (120); 125704 (2016) 10.1063/1.4963126

Photo-induced bandgap renormalization governs the ultrafast response of single-layer MoS2; Pogna E.A.A., Marsili M., De Fazio D., Dal Conte S., Manzoni C., Sangalli D., Yoon D., Lombardo A., Ferrari A.C., Marini A., Cerullo G., Prezzi D.; ACS Nano (10); 1182-1188 (2016) 10.1021/acsnano.5b06488

A dynamical coarse-grained model to disclose allosteric control of misfolding β2-microglobulin; Carrillo-Parramon O., Brancolini G., Corni S.; RSC Advances (6); 9311-93118 (2016) 10.1039/c6ra15491c

Green's function nonequilibrium molecular dynamics method for solid surfaces and interfaces; Kajita S.; Physical Review E (94); 033301 (2016) 10.1103/PhysRevE.94.033301

Influence of defect distribution on the reducibility of CeO2-x nanoparticles; Spadaro M., Luches P., Bertoni G., Grillo V., Turner S., Van Tendeloo G., Valeri S., D'Addato S.; Nanotechnology (27); 425705 (2016) 10.1088/0957-4484/27/42/425705

Friction of rough surfaces on ice: Experiments and modeling; Spagni A., Berardo A., Marchetto D., Gualtieri E., Pugno N.M., Valeri S.; Wear (368-369); 258-266 (2016) 10.1016/j.wear.2016.10.001

Nondestructive Measurement of Orbital Angular Momentum for an Electron Beam; Larocque H., Bouchard F., Grillo V., Sit A., Frabboni S., Dunin-Borkowski R., Padgett M., Boyd R., Karimi E.; Physical Review Letters (117); 154801 (2016) 10.1103/PhysRevLett.117.154801

Periodically driven interacting electrons in one dimension: Many-body Floquet approach; Puviani M., Manghi F.; Physical Review B (94); 161111 (2016) 10.1103/PhysRevB.94.161111

Size-dependent commensurability and its possible role in determining the frictional behavior of adsorbed systems; Restuccia P., Ferrario M., Silvestrelli P., Mistura G., Righi M.; Physical Chemistry Chemical Physics (18); 28997-29004 (2016) 10.1039/c6cp05386f

Effects of G-quadruplex topology on electronic transfer integrals; Sun W., Varsano D., Di Felice R.; Nanomaterials (6); 184 (2016) 10.3390/nano6100184

Asymptotic theory of time-varying social networks with heterogeneous activity and tie allocation; Ubaldi E., Perra N., Karsai M., Vezzani A., Burioni R., Vespignani A.; Scientific Reports (6); 35724 (2016) 10.1038/srep35724

Coupling molecular spin centers to microwave planar resonators: Towards integration of molecular qubits in quantum circuits; Bonizzoni C., Ghirri A., Bader K., Van Slageren J., Perfetti M., Sorace L., Lan Y., Fuhr O., Ruben M., Affronte M.; Dalton Transactions (45); 16596-16603 (2016) 10.1039/c6dt01953f

Heterodimers of heterometallic rings; Timco G., Marocchi S., Garlatti E., Barker C., Albring M., Bellini V., Manghi F., McInnes E.J.L., Pritchard R.G., Tuna F., Wernsdorfer W., Lorusso G., Amoretti G., Carretta S., Affronte M., Winpenny R.E.P.; Dalton Transactions (45); 16610-16615 (2016) 10.1039/c6dt01941b

Relay-Like Exchange Mechanism through a Spin Radical between TbPc2 Molecules and Graphene/Ni(111) Substrates; Marocchi S., Candini A., Klar D., Van Den Heuvel W., Huang H., Troiani F., Corradini V., Biagi R., De Renzi V., Klyatskaya S., Kummer K., Brookes N., Ruben M., Wende H., Del Pennino U., Soncini A., Affronte M., Bellini V.; ACS Nano (10); 9353-9360 (2016) 10.1021/acsnano.6b04107

Single-molecule devices with graphene electrodes; Lumetti S., Candini A., Godfrin C., Balestro F., Wernsdorfer W., Klyatskaya S., Ruben M., Affronte M.; Dalton Transactions (45); 16570-16574 (2016) 10.1039/c6dt02445a

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