Publications S3-NANO | CNR Istituto Nanoscienze

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Pressure-induced antiferromagnetic dome in the heavy-fermion Yb2Pd2In1-xSnx system; Lamura G., Onuorah I.J., Bonfà P., Sanna S., Shermadini Z., Khasanov R., Orain J.C., Baines C., Gastaldo F., Giovannini M., Čurlík I., Dzubinska A., Pristas G., Reiffers M., Martinelli A., Ritter C., Joseph B., Bauer E., De Renzi R., Shiroka T.; Physical Review B (101); 054410 (2020) 10.1103/PhysRevB.101.054410

Nickel addition to optimize the hydrogen storage performance of lithium intercalated fullerides; Aramini M., Magnani G., Pontiroli D., Milanese C., Girella A., Bertoni G., Gaboardi M., Zacchini S., Marini A., Riccò M.; Materials Research Bulletin (126); 110848 (2020) 10.1016/j.materresbull.2020.110848

Modulation of the magnetic properties of gold-spinel ferrite heterostructured nanocrystals; Fantechi E., Innocenti C., Bertoni G., Sangregorio C., Pineider F.; Nano Research (13); 785-794 (2020) 10.1007/s12274-020-2696-x

A monolayer transition-metal dichalcogenide as a topological excitonic insulator; Varsano D., Palummo M., Molinari E., Rontani M.; Nature Nanotechnology (15); 367-372 (2020) 10.1038/s41565-020-0650-4

Discovering the Influence of Lithium Loss on Garnet Li7La3Zr2O12Electrolyte Phase Stability; Paolella A., Zhu W., Bertoni G., Savoie S., Feng Z., Demers H., Gariepy V., Girard G., Rivard E., Delaporte N., Guerfi A., Lorrmann H., George C., Zaghib K.; ACS Applied Energy Materials (3); 3415-3424 (2020) 10.1021/acsaem.9b02401

Tailoring the plasmonic properties of metals: The case of substoichiometric titanium nitride; Catellani A., D'Amico P., Calzolari A.; Physical Review Materials (4); 015201 (2020) 10.1103/PhysRevMaterials.4.015201

Reproducibility in G0W0 calculations for solids; Rangel T., Del Ben M., Varsano D., Antonius G., Bruneval F., da Jornada F.H., van Setten M.J., Orhan O.K., O'Regan D.D., Canning A., Ferretti A., Marini A., Rignanese G.M., Deslippe J., Louie S.G., Neaton J.B.; Computer Physics Communications (255); 107242 (2020) 10.1016/j.cpc.2020.107242

Original design of a patterned multiferroic heterostructure for electrical control of the magnetic shape anisotropy; Polewczyk V., Vinai G., Motti F., Dal Zilio S., Capaldo P., Sygletou M., Benedetti S., Rossi G., Torelli P.; Journal of Magnetism and Magnetic Materials (507); 166816 (2020) 10.1016/j.jmmm.2020.166816

Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems; Tancogne-Dejean N., Oliveira M.J.T., Andrade X., Appel H., Borca C.H., Le Breton G., Buchholz F., Castro A., Corni S., Correa A.A., De Giovannini U., Delgado A., Eich F.G., Flick J., Gil G., Gomez A., Helbig N., Hübener H., Jestädt R., Jornet-Somoza J., Larsen A.H., Lebedeva I.V., Lüders M., Marques M.A.L., Ohlmann S.T., Pipolo S., Rampp M., Rozzi C.A., Strubbe D.A., Sato S.A., Schäfer C., Theophilou I., Welden A., Rubio A.; Journal of Chemical Physics (152); 124119 (2020) 10.1063/1.5142502

Vibrational spectral fingerprinting for chemical recognition of biominerals; Calzolari A., Pavan B., Curtarolo S., Buongiorno Nardelli M., Fornari M.; ChemPhysChem (21); 770-778 (2020) 10.1002/cphc.202000016

Continuous-time quantum walks on planar lattices and the role of the magnetic field; Razzoli L., Paris M.G.A., Bordone P.; Physical Review A (101); 032336 (2020) 10.1103/PhysRevA.101.032336

Quantum ESPRESSO toward the exascale; Giannozzi P., Baseggio O., Bonfà P., Brunato D., Car R., Carnimeo I., Cavazzoni C., De Gironcoli S., Delugas P., Ferrari Ruffino F., Ferretti A., Marzari N., Timrov I., Urru A., Baroni S.; Journal of Chemical Physics (152); 154105 (2020) 10.1063/5.0005082

Density-Driven Correlations in Ensemble Density Functional Theory: Insights from Simple Excitations in Atoms; Gould T., Pittalis S.; Australian Journal of Chemistry (73); 714-723 (2020) 10.1071/CH19504

An open quantum system theory for polarizable continuum models; Guido C.A., Rosa M., Cammi R., Corni S.; Journal of Chemical Physics (152); 174114 (2020) 10.1063/5.0003523

Toward an All-Ceramic Cathode–Electrolyte Interface with Low-Temperature Pressed NASICON Li1.5Al0.5Ge1.5(PO4)3 Electrolyte; Paolella A., Zhu W., Bertoni G., Perea A., Demers H., Savoie S., Girard G., Delaporte N., Guerfi A., Rumpel M., Lorrmann H., Demopoulos G.P., Zaghib K.; Advanced Materials Interfaces (7); 2000164 (2020) 10.1002/admi.202000164

Intrinsic edge excitons in two-dimensional MoS2; D'Amico P., Gibertini M., Prezzi D., Varsano D., Ferretti A., Marzari N., Molinari E.; Physical Review B (101); 161410 (2020) 10.1103/PhysRevB.101.161410

Dynamics and structural communication in the ternary complex of fully phosphorylated V2 vasopressin receptor, vasopressin, and β-arrestin 1; Bellucci L., Felline A., Fanelli F.; Biochimica et Biophysica Acta - Biomembranes (1862); 183355 (2020) 10.1016/j.bbamem.2020.183355

TurboRVB: A many-body toolkit for ab initio electronic simulations by quantum Monte Carlo; Nakano K., Attaccalite C., Barborini M., Capriotti L., Casula M., Coccia E., Dagrada M., Genovese C., Luo Y., Mazzola G., Zen A., Sorella S.; Journal of Chemical Physics (152); 204121 (2020) 10.1063/5.0005037

Simulating Plasmon Resonances of Gold Nanoparticles with Bipyramidal Shapes by Boundary Element Methods; Marcheselli J., Chateau D., Lerouge F., Baldeck P., Andraud C., Parola S., Baroni S., Corni S., Garavelli M., Rivalta I.; Journal of Chemical Theory and Computation (16); 3807-3815 (2020) 10.1021/acs.jctc.0c00269

Magnetic Nanoparticles Coated with (R)-9-Acetoxystearic Acid for Biomedical Applications; Micheletti G., Boga C., Telese D., Cassani M.C., Boanini E., Nitti P., Ballarin B., Ghirri A., Barucca G., Rinaldi D.; ACS Omega (5); 12707-12715 (2020) 10.1021/acsomega.0c00163

Surface Reactivity of Ag-Modified Ceria to Hydrogen: A Combined Experimental and Theoretical Investigation; Benedetti S., Righi G., Luches P., D'Addato S., Magri R., Selloni A.; ACS Applied Materials and Interfaces (12); 27682-27690 (2020) 10.1021/acsami.0c03968

Influence of organic promoter gradient on the MoS2growth dynamics; Rotunno E., Bosi M., Seravalli L., Salviati G., Fabbri F.; Nanoscale Advances (2); 2352-2362 (2020) 10.1039/d0na00147c

Ab initio studies of the optoelectronic structure of undoped and doped silicon nanocrystals and nanowires: The role of size, passivation, symmetry and phase; Ossicini S., Marri I., Amato M., Palummo M., Canadell E., Rurali R.; Faraday Discussions (222); 217-239 (2020) 10.1039/c9fd00085b

Model lipid systems and their use to evaluate the phase state of biomembranes, their mechanical properties and the effect of non-conventional antibiotics: the case of daptomycin; Balleza D., Mescola A., Alessandrini A.; European Biophysics Journal (49); 401-408 (2020) 10.1007/s00249-020-01445-w

Unveiling the Physics behind Hybrid Functionals; Śmiga S., Constantin L.A.; Journal of Physical Chemistry A (124); 5606-5614 (2020) 10.1021/acs.jpca.0c04156

Ultrafast Formation of Small Polarons and the Optical Gap in CeO2; Pelli Cresi J.S., Di Mario L., Catone D., Martelli F., Paladini A., Turchini S., D'Addato S., Luches P., O'Keeffe P.; Journal of Physical Chemistry Letters (11); 5686-5691 (2020) 10.1021/acs.jpclett.0c01590

Microwave photon detectors based on semiconducting double quantum dots; Ghirri A., Cornia S., Affronte M.; Sensors (Switzerland) (20); 1-16 4010 (2020) 10.3390/s20144010

Atomistic insight into the aggregation of [Au25(SR)18]^{: Q}nanoclusters; Vanzan M., Rosa M., Corni S.; Nanoscale Advances (2); 2842-2852 (2020) 10.1039/d0na00213e

Increasing Optical Efficiency in the Telecommunication Bands of Strain-Engineered Ga (As,Bi) Alloys; Tisbi E., Placidi E., Magri R., Prosposito P., Francini R., Zaganelli A., Cecchi S., Zallo E., Calarco R., Luna E., Honolka J., Vondráček M., Colonna S., Arciprete F.; Physical Review Applied (14); 014028 (2020) 10.1103/PhysRevApplied.14.014028

Unraveling the mechanism of the one-pot synthesis of exchange coupled Co-based nano-heterostructures with a high energy product; Muzzi B., Albino M., Innocenti C., Petrecca M., Cortigiani B., Fernández C.D.J., Bertoni G., Fernandez-Pacheco R., Ibarra A., Marquina C., Ibarra M.R., Sangregorio C.; Nanoscale (12); 14076-14086 (2020) 10.1039/d0nr01361g

Two-electron selective coupling in an edge-state based conditional phase shifter; Bellentani L., Forghieri G., Bordone P., Bertoni A.; Physical Review B (102); 035417 (2020) 10.1103/PhysRevB.102.035417

Insights into the effect of curcumin and (–)-epigallocatechin-3-gallate on the aggregation of aβ(1–40) monomers by means of molecular dynamics; Tavanti F., Pedone A., Menziani M.C.; International Journal of Molecular Sciences (21); 1-15 5462 (2020) 10.3390/ijms21155462

Understanding real-time time-dependent density-functional theory simulations of ultrafast laser-induced dynamics in organic molecules; Krumland J., Valencia A.M., Pittalis S., Rozzi C.A., Cocchi C.; Journal of Chemical Physics (153); 054106 (2020) 10.1063/5.0008194

Storage and retrieval of microwave pulses with molecular spin ensembles; Bonizzoni C., Ghirri A., Santanni F., Atzori M., Sorace L., Sessoli R., Affronte M.; npj Quantum Information (6); 68 (2020) 10.1038/s41534-020-00296-9

Surface reducibility, reactivity, and stability induced by noble metal modifications on the γ -Fe2O3maghemite (001) surfaces; Righi G., Magri R.; Journal of Physics Condensed Matter (32); 425004 (2020) 10.1088/1361-648X/aba21c

Modified Interaction-Strength Interpolation Method as an Important Step toward Self-Consistent Calculations; Śmiga S., Constantin L.A.; Journal of Chemical Theory and Computation (16); 4983-4992 (2020) 10.1021/acs.jctc.0c00328

Hydrodynamical description for magneto-transport in the strange metal phase of Bi-2201; Amoretti A., Meinero M., Brattan D.K., Caglieris F., Giannini E., Affronte M., Hess C., Buechner B., Magnoli N., Putti M.; Physical Review Research (2); 023387 (2020) 10.1103/PhysRevResearch.2.023387

Thermal assisted tailoring of magnetic coercivity in Iron thin films on unstable Lithium Niobate substrate; Polewczyk V., Vinai G., Motti F., Santhosh S., Benedetti S., Rossi G., Torelli P.; Journal of Magnetism and Magnetic Materials (515); 167257 (2020) 10.1016/j.jmmm.2020.167257

Efficient yet accurate dispersion-corrected semilocal exchange-correlation functionals for non-covalent interactions; Patra A., Jana S., Constantin L.A., Samal P.; Journal of Chemical Physics (153); 084117 (2020) 10.1063/5.0011849

Halide pb-free double-perovskites: Ternary vs. quaternary stoichiometry; Palummo M., Varsano D., Berríos E., Yamashita K., Giorgi G.; Energies (13); 3516 (2020) 10.3390/en13143516

Controlling the TiN Electrode Work Function at the Atomistic Level: A First Principles Investigation; Calzolari A., Catellani A.; IEEE Access (8); 156308-156313 9171237 (2020) 10.1109/ACCESS.2020.3017726

Methane Activation on Metal-Doped (111) and (100) Ceria Surfaces with Charge-Compensating Oxygen Vacancies; Righi G., Magri R., Selloni A.; Journal of Physical Chemistry C (124); 17578-17585 (2020) 10.1021/acs.jpcc.0c03320

Defect-assisted synthesis of magneto-plasmonic silver-spinel ferrite heterostructures in a flower-like architecture; Sanna Angotzi M., Mameli V., Cara C., Grillo V., Enzo S., Musinu A., Cannas C.; Scientific Reports (10); 17015 (2020) 10.1038/s41598-020-73502-5

Compressive strain formation in surface-damaged crystals; Ferrari C., Beretta S., Rotunno E., Korytár D., Zaprazny Z.; Journal of Applied Crystallography (53); 629-634 (2020) 10.1107/S1600576720003702

NMR Study of Spin Dynamics in V7Zn and V7Ni Molecular Rings; Adelnia F., Arosio P., Mariani M., Orsini F., Radaelli A., Sangregorio C., Borsa F., Walsh J.P.S., Winpenny R., Timco G., Lascialfari A.; Applied Magnetic Resonance (51); 1277-1293 (2020) 10.1007/s00723-020-01281-3

Computational insights into the binding of monolayer-capped gold nanoparticles onto amyloid-β fibrils; Tavanti F., Pedone A., Menziani M.C., Alexander-Katz A.; ACS Chemical Neuroscience (11); 3153-3160 (2020) 10.1021/acschemneuro.0c00497

Daptomycin Strongly Affects the Phase Behavior of Model Lipid Bilayers; Mescola A., Ragazzini G., Alessandrini A.; Journal of Physical Chemistry B (124); 8562-8571 (2020) 10.1021/acs.jpcb.0c06640

Vibrational signature of the graphene nanoribbon edge structure from high-resolution electron energy-loss spectroscopy; Cavani N., De Corato M., Ruini A., Prezzi D., Molinari E., Lodi Rizzini A., Rosi A., Biagi R., Corradini V., Wang X.Y., Feng X., Narita A., Müllen K., De Renzi V.; Nanoscale (12); 19681-19688 (2020) 10.1039/d0nr05763k

Effects of Ligand Binding on the Energy Landscape of Acyl-CoA-Binding Protein; Sonar P., Bellucci L., Mossa A., Heidarsson P.O., Kragelund B.B., Cecconi C.; Biophysical Journal (119); 1821-1832 (2020) 10.1016/j.bpj.2020.09.016

Efficient molecule discrimination in electron microscopy through an optimized orbital angular momentum sorter; Troiani F., Rotunno E., Frabboni S., Ravelli R.B.G., Peters P.J., Karimi E., Grillo V.; Physical Review A (102); 043510 (2020) 10.1103/PhysRevA.102.043510

Electronic band structure of layers within meta generalized gradient approximation of density functionals; Patra A., Patra B., Constantin L.A., Samal P.; Physical Review B (102); 045135 (2020) 10.1103/PhysRevB.102.045135

Continuous-time quantum walks in the presence of a quadratic perturbation; Candeloro A., Razzoli L., Cavazzoni S., Bordone P., Paris M.G.A.; Physical Review A (102); 042214 (2020) 10.1103/PhysRevA.102.042214

Development of a Terahertz scanning apparatus with automatic object detection capabilities; Rugliancich A., Paoletti R., Biesuz N., Bitossi M., Paolucci F., Stiaccini L.; Proceedings of SPIE - The International Society for Optical Engineering (11541); 115410I (2020) 10.1117/12.2574055

Hierarchical Short- and Medium-Range Order Structures in Amorphous Ge xSe1- xfor Selectors Applications; Tavanti F., Dianat B., Catellani A., Calzolari A.; ACS Applied Electronic Materials (2); 2961-2969 (2020) 10.1021/acsaelm.0c00581

Surface Effects on Pyrene Luminescence Excitation; Ritter J.R., Caldas M.J., Da Silva T.J., Calzolari A., McCluskey M.D.; ACS Applied Electronic Materials (2); 2806-2812 (2020) 10.1021/acsaelm.0c00482

Nanostructured SMFEO3 gas sensors: Investigation of the gas sensing performance reproducibility for colorectal cancer screening; Gaiardo A., Zonta G., Gherardi S., Malagù C., Fabbri B., Valt M., Vanzetti L., Landini N., Casotti D., Cruciani G., Della Ciana M., Guidi V.; Sensors (Switzerland) (20); 1-16 5910 (2020) 10.3390/s20205910

Combination of Electron Energy-loss Spectroscopy and Orbital Angular Momentum Spectroscopy. Applications to Electron Magnetic Chiral Dichroism, Plasmon-loss, and Core-loss; Bertoni G., Rotunno E., Tavabi A., Zanfrognini M., Rosi P., Frabboni S., Karimi E., Dunin-Borkowski R., Grillo V.; Microscopy and Microanalysis (2020) 10.1017/S1431927620019212

Coupling Nanostructured CsNiCr Prussian Blue Analogue to Resonant Microwave Fields; Ghirri A., Herrero C., Mazérat S., Mallah T., Moze O., Affronte M.; Advanced Quantum Technologies (3); 1900101 (2020) 10.1002/qute.201900101

Improved solid stability from a screened range-separated hybrid functional by satisfying semiclassical atom theory and local density linear response; Jana S., Patra B., Śmiga S., Constantin L.A., Samal P.; Physical Review B (102); 155107 (2020) 10.1103/PhysRevB.102.155107

How the observation in a new custom basis based on orbital angular momentum space could improve our dose effective reconstruction of the protein structure; Troiani F., Rotunno E., Frabboni S., Ravelli R., Peters P., Karimi E., Grillo V.; Microscopy and Microanalysis (2020) 10.1017/S1431927620017195

Water-Mediated ElectroHydrogenation of CO2at Near-Equilibrium Potential by Carbon Nanotubes/Cerium Dioxide Nanohybrids; Valenti G., Melchionna M., Montini T., Boni A., Nasi L., Fonda E., Criado A., Zitolo A., Voci S., Bertoni G., Bonchio M., Fornasiero P., Paolucci F., Prato M.; ACS Applied Energy Materials (3); 8509-8518 (2020) 10.1021/acsaem.0c01145

Adsorption and Motion of Single Molecular Motors on TiO2(110); Jacobson P., Prezzi D., Liu D., Schied M., Tour J.M., Corni S., Calzolari A., Molinari E., Grill L.; Journal of Physical Chemistry C (124); 24776-24785 (2020) 10.1021/acs.jpcc.0c07065

Modelling photosystem i as a complex interacting network: Modelling the photosynthetic system i as complex interacting network; Montepietra D., Bellingeri M., Ross A.M., Scotognella F., Cassi D.; Journal of the Royal Society Interface (17); 0813 (2020) 10.1098/rsif.2020.0813

Surface chemistry effects on work function, ionization potential and electronic affinity of Si(100), Ge(100) surfaces and SiGe heterostructures; Marri I., Amato M., Bertocchi M., Ferretti A., Varsano D., Ossicini S.; Physical Chemistry Chemical Physics (22); 25593-25605 (2020) 10.1039/d0cp04013d

Generalizing Double-Hybrid Density Functionals: Impact of Higher-Order Perturbation Terms; Jana S., Śmiga S., Constantin L.A., Samal P.; Journal of Chemical Theory and Computation (16); 7413-7430 (2020) 10.1021/acs.jctc.0c00823

Bandgap determination from individual orthorhombic thin cesium lead bromide nanosheets by electron energy-loss spectroscopy; Brescia R., Toso S., Ramasse Q., Manna L., Shamsi J., Downing C., Calzolari A., Bertoni G.; Nanoscale Horizons (5); 1610-1617 (2020) 10.1039/d0nh00477d

The RNA Polymerase α Subunit Recognizes the DNA Shape of the Upstream Promoter Element; Lara-Gonzalez S., Dantas MacHado A.C., Rao S., Napoli A.A., Birktoft J., Di Felice R., Rohs R., Lawson C.L.; Biochemistry (59); 4523-4532 (2020) 10.1021/acs.biochem.0c00571

Hybrid theoretical models for molecular nanoplasmonics; Coccia E., Fregoni J., Guido C.A., Marsili M., Pipolo S., Corni S.; Journal of Chemical Physics (153); 200901 (2020) 10.1063/5.0027935

Interplay between morphology and magnetoelectric coupling in Fe/PMN-PT multiferroic heterostructures studied by microscopy techniques; Motti F., Vinai G., Bonanni V., Polewczyk V., Mantegazza P., Forrest T., MacCherozzi F., Benedetti S., Rinaldi C., Cantoni M., Cassese D., Prato S., Dhesi S.S., Rossi G., Panaccione G., Torelli P.; Physical Review Materials (4); 114418 (2020) 10.1103/PhysRevMaterials.4.114418

Uncollapsed LaFe2 As2 phase: Compensated, highly doped, electron-phonon-coupled, iron-based superconductor; Pallecchi I., Iyo A., Ogino H., Affronte M., Putti M.; Physical Review Materials (4); 114803 (2020) 10.1103/PhysRevMaterials.4.114803

Dynamical diffraction effects in STEM orbital angular momentum resolved electron energy-loss magnetic chiral dichroism; Zanfrognini M., Rotunno E., Rusz J., Dunin Borkowski R.E., Karimi E., Frabboni S., Grillo V.; Physical Review B (102); 184420 (2020) 10.1103/PhysRevB.102.184420

Adjusting the Néel relaxation time of Fe3O4/Zn xCo1-xFe2O4core/shell nanoparticles for optimal heat generation in magnetic hyperthermia; Fabris F., Lohr J., Lima E., De Almeida A.A., Troiani H.E., Rodríguez L.M., Vásquez Mansilla M., Aguirre M.H., Goya G.F., Rinaldi D., Ghirri A., Peddis D., Fiorani D., Zysler R.D., De Biasi E., Winkler E.L.; Nanotechnology (32); 065703 (2020) 10.1088/1361-6528/abc386

Empty electron states in cobalt-intercalated graphene; Calloni A., Bussetti G., Avvisati G., Jagadeesh M.S., Pacilè D., Ferretti A., Varsano D., Cardoso C., Duò L., Ciccacci F., Betti M.G.; Journal of Chemical Physics (153); 214703 (2020) 10.1063/5.0021814

Insights from the density functional performance of water and water-solid interactions: SCAN in relation to other meta-GGAs; Jana S., Patra A., Asmiga S., Constantin L.A., Samal P.; Journal of Chemical Physics (153); 214116 (2020) 10.1063/5.0028821

Antibacterial effect of aluminum surfaces untreated and treated with a special anodizing based on titanium oxide approved for food contact; Di Cerbo A., Mescola A., Iseppi R., Canton R., Rossi G., Stocchi R., Loschi A.R., Alessandrini A., Rea S., Sabia C.; Biology (9); 1-17 456 (2020) 10.3390/biology9120456

Ensemble Density Functional Theory: Insight from the Fluctuation-Dissipation Theorem; Gould T., Stefanucci G., Pittalis S.; Physical Review Letters (125); 233001 (2020) 10.1103/PhysRevLett.125.233001

Doping of III-V Arsenide and Phosphide Wurtzite Semiconductors; Giorgi G., Amato M., Ossicini S., Cartoixà X., Canadell E., Rurali R.; Journal of Physical Chemistry C (2020) 10.1021/acs.jpcc.0c09391

Electronic structure of MPX3trichalcogenide monolayers in density functional theory: A case study with four compounds (M = Mn, Fe; X = S, Se); Sen P., Chouhan R.K.; Electronic Structure (2); 025003 (2020) 10.1088/2516-1075/ab942a

Ab initio simulations of semiconductor surfaces and interfaces; Calzolari A., Cicero G., Catellani A.; Springer Handbooks 119-153 (2020) 10.1007/978-3-030-46906-1_5

Prototyping Ultrafast Charge Separation by Means of Time-Dependent Density Functional Methods; Rozzi C.A., Pittalis S.; Handbook of Materials Modeling: Applications: Current and Emerging Materials, Second Edition 325-343 (2020) 10.1007/978-3-319-44680-6_25

Generation of electron vortices using nonexact electric fields; Tavabi A.H., Larocque H., Lu P.H., Duchamp M., Grillo V., Karimi E., Dunin-Borkowski R.E., Pozzi G.; Physical Review Research (2); 013185 (2020) 10.1103/PhysRevResearch.2.013185

Polar Step-Driven Metal Nucleation and Growth: The Ag/ZnO(101̅0) Case; Benedetti S., Valenti I., Valeri S., Castilla S., Touzé E., Bronstein Y., Toumar A., Finocchi F., Lazzari R.; Journal of Physical Chemistry C (124); 6130-6140 (2020) 10.1021/acs.jpcc.9b11464

Combination of Electron Energy-loss Spectroscopy and Orbital Angular Momentum Spectroscopy. Applications to Electron Magnetic Chiral Dichroism, Plasmon-loss, and Core-loss; Bertoni G., Rotunno E., Tavabi A., Zanfrognini M., Rosi P., Frabboni S., Karimi E., Dunin-Borkowski R., Grillo V.; Microscopy and Microanalysis (2020) 10.1017/S1431927620019212

How the observation in a new custom basis based on orbital angular momentum space could improve our dose effective reconstruction of the protein structure; Troiani F., Rotunno E., Frabboni S., Ravelli R., Peters P., Karimi E., Grillo V.; Microscopy and Microanalysis (2020) 10.1017/S1431927620017195

Fabrication of a low-cost on-stage cell incubator with full automation; Ragazzini G., Mescola A., Corsi L., Alessandrini A.; Journal of Biological Education (53); 165-173 (2019) 10.1080/00219266.2018.1451772

Corrigendum to “Tribochemistry of graphene on iron and its possible role in lubrication of steel” [Carbon 106 (2016) 118–124](S0008622316303797)(10.1016/j.carbon.2016.05.025); Restuccia P., Righi M.; Carbon (141); 794 (2019) 10.1016/j.carbon.2018.10.013

Core-Shell Charge Transfer in Plasmonic Fe@Ag Nanoparticles on MgO Film; Benedetti S., Valenti I., Valeri S.; Journal of Physical Chemistry C (123); 8206-8211 (2019) 10.1021/acs.jpcc.8b08478

Multiscale modeling of proteins interaction with functionalized nanoparticles; Brancolini G., Tozzini V.; Current Opinion in Colloid and Interface Science (41); 66-73 (2019) 10.1016/j.cocis.2018.12.001

Charge Transfer between [4Fe4S] Proteins and DNA Is Unidirectional: Implications for Biomolecular Signaling; Teo R.D., Rousseau B.J.G., Smithwick E.R., Di Felice R., Beratan D.N., Migliore A.; Chem (5); 122-137 (2019) 10.1016/j.chempr.2018.09.026

The interaction of peptides and proteins with nanostructures surfaces: a challenge for nanoscience; Brancolini G., Bellucci L., Maschio M.C., Di Felice R., Corni S.; Current Opinion in Colloid and Interface Science (41); 86-94 (2019) 10.1016/j.cocis.2018.12.003

Interfacing a Potential Purely Organic Molecular Quantum Bit with a Real-Life Surface; Ciccullo F., Calzolari A., Bader K., Neugebauer P., Gallagher N.M., Rajca A., Van Slageren J., Casu M.B.; ACS Applied Materials and Interfaces (11); 1571-1578 (2019) 10.1021/acsami.8b16061

Bio-molecular applications of recent developments in optical tweezers; Choudhary D., Mossa A., Jadhav M., Cecconi C.; Biomolecules (9); 23 (2019) 10.3390/biom9010023

Preferential Positioning, Stability, and Segregation of Dopants in Hexagonal Si Nanowires; Amato M., Ossicini S., Canadell E., Rurali R.; Nano Letters (19); 866-876 (2019) 10.1021/acs.nanolett.8b04083

Complex Phase Behavior of GUVs Containing Different Sphingomyelins; Balleza D., Mescola A., Marín–Medina N., Ragazzini G., Pieruccini M., Facci P., Alessandrini A.; Biophysical Journal (116); 503-517 (2019) 10.1016/j.bpj.2018.12.018

Ultrafast electron-lattice thermalization in copper and other noble metal nanoparticles; Mongin D., Maioli P., Burgin J., Langot P., Cottancin E., D'Addato S., Canut B., Treguer M., Crut A., Vallée F., Del Fatti N.; Journal of Physics Condensed Matter (31); 084001 (2019) 10.1088/1361-648X/aaf7eb

Structure-dependent electrical properties of graphene nanoribbon devices with graphene electrodes; Martini L., Chen Z., Mishra N., Barin G.B., Fantuzzi P., Ruffieux P., Fasel R., Feng X., Narita A., Coletti C., Müllen K., Candini A.; Carbon (146); 36-43 (2019) 10.1016/j.carbon.2019.01.071

Koopmans-Compliant Functionals and Potentials and Their Application to the GW100 Test Set; Colonna N., Nguyen N., Ferretti A., Marzari N.; Journal of Chemical Theory and Computation (15); 1905-1914 (2019) 10.1021/acs.jctc.8b00976

Augmented band gap tunability in indium-doped zinc sulfide nanocrystals; Della Gaspera E., Griggs J., Ahmed T., Walia S., Mayes E.L.H., Calzolari A., Catellani A., Van Embden J.; Nanoscale (11); 3360-3369 (2019) 10.1039/c8nr08830f

Small heat shock proteins: multifaceted proteins with important implications for life; Carra S., Alberti S., Benesch J.L.P., Boelens W., Buchner J., Carver J.A., Cecconi C., Ecroyd H., Gusev N., Hightower L.E., Klevit R.E., Lee H.O., Liberek K., Lockwood B., Poletti A., Timmerman V., Toth M.E., Vierling E., Wu T., Tanguay R.M.; Cell Stress and Chaperones (24); 295-308 (2019) 10.1007/s12192-019-00979-z

Physical Synthesis and Study of Ag@CaF2 Core@Shell Nanoparticles: Morphology and Tuning of Optical Properties; D'Addato S., Vikatakavi A., Spadaro M.C., Valeri S., Pasquali L.; Physica Status Solidi (B) Basic Research (256); 1800507 (2019) 10.1002/pssb.201800507

Enhanced Rashba spin-orbit coupling in core-shell nanowires by the interfacial effect; Wójcik P., Bertoni A., Goldoni G.; Applied Physics Letters (114); 073102 (2019) 10.1063/1.5082602

Readout of a weakly coupled qubit through the use of an auxiliary mode; Troiani F.; Physics Letters, Section A: General, Atomic and Solid State Physics (383); 1536-1542 (2019) 10.1016/j.physleta.2019.02.016

Reduction Properties of (001) Maghemite Surfaces; Righi G., Magri R.; Proceedings of the IEEE Conference on Nanotechnology (2018-July); 8626278 (2019) 10.1109/NANO.2018.8626278

Structured quantum projectiles; Larocque H., Fickler R., Cohen E., Grillo V., Dunin-Borkowski R.E., Leuchs G., Karimi E.; Physical Review A (99); 023628 (2019) 10.1103/PhysRevA.99.023628

Polychromatic emission in a wide energy range from InP-InAs-InP multi-shell nanowires; Battiato S., Wu S., Zannier V., Bertoni A., Goldoni G., Li A., Xiao S., Han X.D., Beltram F., Sorba L., Xu X., Rossella F.; Nanotechnology (30); 194004 (2019) 10.1088/1361-6528/aafde4

Orbital Angular Momentum and Energy Loss Characterization of Plasmonic Excitations in Metallic Nanostructures in TEM; Zanfrognini M., Rotunno E., Frabboni S., Sit A., Karimi E., Hohenester U., Grillo V.; ACS Photonics (6); 620-627 (2019) 10.1021/acsphotonics.9b00131

Attractive interactions between like-oriented surface steps from an ab initio perspective: Role of the elastic and electrostatic contributions; Righi G., Franchini A., Magri R.; Physical Review B (99); 075311 (2019) 10.1103/PhysRevB.99.075311

First-Principles Insights into the Structural and Electronic Properties of Polytetrafluoroethylene in Its High-Pressure Phase (Form III); Fatti G., Righi M., Dini D., Ciniero A.; Journal of Physical Chemistry C (123); 6250-6255 (2019) 10.1021/acs.jpcc.8b11631

Evidence of a Thermodynamic Ramp for Hole Hopping to Protect a Redox Enzyme from Oxidative Damage; Zanetti-Polzi L., Daidone I., Corni S.; Journal of Physical Chemistry Letters (10); 1450-1456 (2019) 10.1021/acs.jpclett.9b00403

Interplay between Intra- and Intermolecular Charge Transfer in the Optical Excitations of J-Aggregates; Guerrini M., Cocchi C., Calzolari A., Varsano D., Corni S.; Journal of Physical Chemistry C (123); 6831-6838 (2019) 10.1021/acs.jpcc.8b11709

Insights into image contrast from dislocations in ADF-STEM; Oveisi E., Spadaro M.C., Rotunno E., Grillo V., Hébert C.; Ultramicroscopy (200); 139-148 (2019) 10.1016/j.ultramic.2019.02.004

Nanoscale frictional properties of ordered and disordered MoS2; Serpini E., Rota A., Valeri S., Ukraintsev E., Rezek B., Polcar T., Nicolini P.; Tribology International (136); 67-74 (2019) 10.1016/j.triboint.2019.03.004

Reversible Modification of Ferromagnetism through Electrically Controlled Morphology; Vinai G., Motti F., Bonanni V., Petrov A.Y., Benedetti S., Rinaldi C., Stella M., Cassese D., Prato S., Cantoni M., Rossi G., Panaccione G., Torelli P.; Advanced Electronic Materials (5); 1900150 (2019) 10.1002/aelm.201900150

Fundamental gaps of quantum dots on the cheap; Guandalini A., Rozzi C., Räsänen E., Pittalis S.; Physical Review B (99); 125140 (2019) 10.1103/PhysRevB.99.125140

Nonequilibrium Solvent Polarization Effects in Real-Time Electronic Dynamics of Solute Molecules Subject to Time-Dependent Electric Fields: A New Feature of the Polarizable Continuum Model; Gil G., Pipolo S., Delgado A., Rozzi C.A., Corni S.; Journal of Chemical Theory and Computation (15); 2306-2319 (2019) 10.1021/acs.jctc.9b00010

Electronic and optical properties of doped TiO2 by many-body perturbation theory; Atambo M., Varsano D., Ferretti A., Ataei S., Caldas M., Molinari E., Selloni A.; Physical Review Materials (3); 045401 (2019) 10.1103/PhysRevMaterials.3.045401

Structure and properties of edge dislocations in BiFe O3; Agrawal P., Campanini M., Rappe A., Liu S., Grillo V., Hébert C., Erni R., Passerone D., Rossell M.D.; Physical Review Materials (3); 034410 (2019) 10.1103/PhysRevMaterials.3.034410

Microwave-assisted reversal of a single electron spin; Godfrin C., Lumetti S., Biard H., Bonet E., Klyatskaya S., Ruben M., Candini A., Affronte M., Wernsdorfer W., Balestro F.; Journal of Applied Physics (125); 142801 (2019) 10.1063/1.5064593

H 2 Dissociation on Noble Metal Single Atom Catalysts Adsorbed on and Doped into CeO 2 (111); Righi G., Magri R., Selloni A.; Journal of Physical Chemistry C (123); 9875-9883 (2019) 10.1021/acs.jpcc.9b00609

CoTPP molecules deposited on graphene/Ni (111): Quenching of the antiferromagnetic interaction induced by gold intercalation; Corradini V., Candini A., Klar D., Biagi R., De Renzi V., Lodi Rizzini A., Cavani N., Del Pennino U., Wende H., Otero E., Affronte M.; Journal of Applied Physics (125); 142904 (2019) 10.1063/1.5063562

Glutamate receptors and glioblastoma multiforme: An old “route” for new perspectives; Corsi L., Mescola A., Alessandrini A.; International Journal of Molecular Sciences (20); 1796 (2019) 10.3390/ijms20071796

Electron-Beam Shaping in the Transmission Electron Microscope: Control of Electron-Beam Propagation Along Atomic Columns; Rotunno E., Tavabi A.H., Yucelen E., Frabboni S., Dunin Borkowski R.E., Karimi E., McMorran B.J., Grillo V.; Physical Review Applied (11); 044072 (2019) 10.1103/PhysRevApplied.11.044072

Enhanced light-harvesting of protein-pigment complexes assisted by a quantum dot antenna; Gil G., Goldoni G., Corni S.; Proceedings - 2018 Nanotechnology for Instrumentation and Measurement, NANOfIM 2018 8688607 (2019) 10.1109/NANOFIM.2018.8688607

Ultrafast generation and control of an electron vortex beam via chiral plasmonic near fields; Vanacore G.M., Berruto G., Madan I., Pomarico E., Biagioni P., Lamb R.J., McGrouther D., Reinhardt O., Kaminer I., Barwick B., Larocque H., Grillo V., Karimi E., García de Abajo F.J., Carbone F.; Nature Materials (18); 573-579 (2019) 10.1038/s41563-019-0336-1

Super-activated biochar from poultry litter for high-performance supercapacitors; Pontiroli D., Scaravonati S., Magnani G., Fornasini L., Bersani D., Bertoni G., Milanese C., Girella A., Ridi F., Verucchi R., Mantovani L., Malcevschi A., Riccò M.; Microporous and Mesoporous Materials (285); 161-169 (2019) 10.1016/j.micromeso.2019.05.002

Quantifying the Plasmonic Character of Optical Excitations in a Molecular J-Aggregate; Guerrini M., Calzolari A., Varsano D., Corni S.; Journal of Chemical Theory and Computation (15); 3197-3203 (2019) 10.1021/acs.jctc.9b00220

Tailoring optical properties and stimulated emission in nanostructured polythiophene; Portone A., Ganzer L., Branchi F., Ramos R., Caldas M.J., Pisignano D., Molinari E., Cerullo G., Persano L., Prezzi D., Virgili T.; Scientific Reports (9); 7370 (2019) 10.1038/s41598-019-43719-0

Tailoring the plasmonic properties of ultrathin TiN films at metal-dielectric interfaces; Catellani A., Calzolari A.; Optical Materials Express (9); 1459-1468 (2019) 10.1364/OME.9.001459

Many-body perturbation theory calculations using the yambo code; Sangalli D., Ferretti A., Miranda H., Attaccalite C., Marri I., Cannuccia E., Melo P., Marsili M., Paleari F., Marrazzo A., Prandini G., Bonfà P., Atambo M.O., Affinito F., Palummo M., Molina-Sánchez A., Hogan C., Grüning M., Varsano D., Marini A.; Journal of Physics Condensed Matter (31); 325902 (2019) 10.1088/1361-648X/ab15d0

Role of Lipid Composition, Physicochemical Interactions, and Membrane Mechanics in the Molecular Actions of Microbial Cyclic Lipopeptides; Balleza D., Alessandrini A., Beltrán García M.J.; Journal of Membrane Biology (252); 131-157 (2019) 10.1007/s00232-019-00067-4

A chemical, mechanical, and tribological analysis of DLC coatings deposited by magnetron sputtering; Fiaschi G., Rota A., Ballestrazzi A., Marchetto D., Vezzalini E., Valeri S.; Lubricants (7); 38 (2019) 10.3390/lubricants7040038

Highly efficient plasmon-mediated electron injection into cerium oxide from embedded silver nanoparticles; Pelli Cresi J.S., Spadaro M.C., D'Addato S., Valeri S., Benedetti S., Di Bona A., Catone D., Di Mario L., O'Keeffe P., Paladini A., Bertoni G., Luches P.; Nanoscale (11); 10282-10291 (2019) 10.1039/c9nr01390c

Magainin-H2 effects on the permeabilization and mechanical properties of giant unilamellar vesicles; Mescola A., Marín-Medina N., Ragazzini G., Accolla M., Alessandrini A.; Journal of Colloid and Interface Science (553); 247-258 (2019) 10.1016/j.jcis.2019.06.028

A proposal for evading the measurement uncertainty in classical and quantum computing: Application to a resonant tunneling diode and a Mach-Zehnder interferometer; Pandey D., Bellentani L., Villani M., Albareda G., Bordone P., Bertoni A., Oriols X.; Applied Sciences (Switzerland) (9); 2300 (2019) 10.3390/app9112300

In-plane Aligned Colloidal 2D WS2 Nanoflakes for Solution-Processable Thin Films with High Planar Conductivity; Mastria R., Scarfiello R., Altamura D., Giannini C., Liscio A., Kovtun A., Bianco G.V., Bruno G., Grillo V., Tavabi A.H., Dunin-Borkowski R.E., Nobile C., Cola A., Cozzoli P.D., Gambino S., Rizzo A.; Scientific Reports (9); 9002 (2019) 10.1038/s41598-019-45192-1

Reduction and Oxidation of Maghemite (001) Surfaces: The Role of Iron Vacancies; Righi G., Magri R.; Journal of Physical Chemistry C (2019) 10.1021/acs.jpcc.9b03657

Lattice quantum magnetometry; Razzoli L., Ghirardi L., Siloi I., Bordone P., Paris M.G.A.; Physical Review A (99); 062330 (2019) 10.1103/PhysRevA.99.062330

Interplay between interlayer exchange and stacking in CrI3 bilayers; Soriano D., Cardoso C., Fernández-Rossier J.; Solid State Communications (299); 113662 (2019) 10.1016/j.ssc.2019.113662

Building minimalist models for functionalized metal nanoparticles; Brancolini G., Tozzini V.; Frontiers in Molecular Biosciences (6); 50 (2019) 10.3389/fmolb.2019.00050

Coulomb and exchange interaction effects on the exact two-electron dynamics in the Hong-Ou-Mandel interferometer based on Hall edge states; Bellentani L., Bordone P., Oriols X., Bertoni A.; Physical Review B (99); 245415 (2019) 10.1103/PhysRevB.99.245415

Density-Driven Correlations in Many-Electron Ensembles: Theory and Application for Excited States; Gould T., Pittalis S.; Physical Review Letters (123); 016401 (2019) 10.1103/PhysRevLett.123.016401

The Young-Feynman controlled double-slit electron interference experiment; Tavabi A., Boothroyd C., Yücelen E., Frabboni S., Gazzadi G., Dunin-Borkowski R., Pozzi G.; Scientific Reports (9); 10458 (2019) 10.1038/s41598-019-43323-2

Towards quantum sensing with molecular spins; Troiani F., Ghirri A., Paris M.G.A., Bonizzoni C., Affronte M.; Journal of Magnetism and Magnetic Materials (491); 165534 (2019) 10.1016/j.jmmm.2019.165534

Mixed morphology in low molar mass fluorinated block copolymers; Aprile G., Lupi F., Taddei S., Martinelli E., Zuccheri G., Boarino L., Galli G., Laus M.; Polymer (179); 121657 (2019) 10.1016/j.polymer.2019.121657

Multiwavelength Raman spectroscopy of ultranarrow nanoribbons made by solution-mediated bottom-up approach; Rizzo D., Prezzi D., Ruini A., Nagyte V., Keerthi A., Narita A., Beser U., Xu F., Mai Y., Feng X., Müllen K., Molinari E., Casiraghi C.; Physical Review B (100); 045406 (2019) 10.1103/PhysRevB.100.045406

Characterization of Molybdenum Dithiocarbamates by First-Principles Calculations; Peeters S., Restuccia P., Loehlé S., Thiebaut B., Righi M.; Journal of Physical Chemistry A (123); 7007-7015 (2019) 10.1021/acs.jpca.9b03930

A new approach for the separation, characterization and testing of potential prionoid protein aggregates through hollow-fiber flow field-flow fractionation and multi-angle light scattering; Marassi V., Beretti F., Roda B., Alessandrini A., Facci P., Maraldi T., Zattoni A., Reschiglian P., Portolani M.; Analytica Chimica Acta (1087); 121-130 (2019) 10.1016/j.aca.2019.08.003

Low-resolution models for the interaction dynamics of coated gold nanoparticles with β2-microglobulin; Brancolini G., Lopez H., Corni S., Tozzini V.; International Journal of Molecular Sciences (20); 3866 (2019) 10.3390/ijms20163866

Band folding, strain, confinement, and surface relaxation effects on the electronic structure of GaAs and GaP: from bulk to nanowires; dos Santos C., Piquini P., Magri R.; European Physical Journal B (92); 191 (2019) 10.1140/epjb/e2019-100288-y

Mechanistic insight into the formation of colloidal WS2 nanoflakes in hot alkylamine media; Scarfiello R., Cesari A., Altamura D., Masi S., Nobile C., Balzano F., Giannini C., Grillo V., Tavabi A.H., Dunin-Borkowski R.E., Uccello-Barretta G., Davide Cozzoli P., Rizzo A.; Nanoscale Advances (1); 2772-2782 (2019) 10.1039/c9na00279k

Asymptotic behavior of the Hartree-exchange and correlation potentials in ensemble density functional theory; Gould T., Pittalis S., Toulouse J., Kraisler E., Kronik L.; Physical Chemistry Chemical Physics (21); 19805-19815 (2019) 10.1039/c9cp03633d

Pushing down the lateral dimension of single and coupled magnetic dots to the nanometric scale: Characteristics and evolution of the spin-wave eigenmodes; Carlotti G.; Applied Physics Reviews (6); 031304 (2019) 10.1063/1.5110434

Quantum computing with quantum-Hall edge state interferometry; Bordone P., Bellentani L., Bertoni A.; Semiconductor Science and Technology (34); 103001 (2019) 10.1088/1361-6641/ab3be6

Quantum effects in muon spin spectroscopy within the stochastic self-consistent harmonic approximation; Onuorah I.J., Bonfà P., De Renzi R., Monacelli L., Mauri F., Calandra M., Errea I.; Physical Review Materials (3); 073804 (2019) 10.1103/PhysRevMaterials.3.073804

Color Sensitive Response of Graphene/Graphene Quantum Dot Phototransistors; Fantuzzi P., Candini A., Chen Q., Yao X., Dumslaff T., Mishra N., Coletti C., Müllen K., Narita A., Affronte M.; Journal of Physical Chemistry C (123); 26490-26497 (2019) 10.1021/acs.jpcc.9b05013

Anisotropies of the g-factor tensor and diamagnetic coefficient in crystal-phase quantum dots in InP nanowires; Wu S., Peng K., Battiato S., Zannier V., Bertoni A., Goldoni G., Xie X., Yang J., Xiao S., Qian C., Song F., Sun S., Dang J., Yu Y., Beltram F., Sorba L., Li A., Li B.b., Rossella F., Xu X.; Nano Research (12); 2842-2848 (2019) 10.1007/s12274-019-2522-5

Manipulation of spin cluster qubits by electric field induced modulation of exchange coupling, g-factor, and axial anisotropy; Troiani F.; Physical Review B (100); 155424 (2019) 10.1103/PhysRevB.100.155424

Tribological properties of high-speed uniform femtosecond laser patterning on stainless steel; Gnilitskyi I., Rota A., Gualtieri E., Valeri S., Orazi L.; Lubricants (7); 83 (2019) 10.3390/lubricants7100083

Transparent conductive oxide-based architectures for the electrical modulation of the optical response: A spectroscopic ellipsometry study; Sygletou M., Bisio F., Benedetti S., Torelli P., Di Bona A., Petrov A., Canepa M.; Journal of Vacuum Science and Technology B: Nanotechnology and Microelectronics (37); 061209 (2019) 10.1116/1.5122175

High-throughput screening of the static friction and ideal cleavage strength of solid interfaces; Wolloch M., Losi G., Ferrario M., Righi M.C.; Scientific Reports (9); 17062 (2019) 10.1038/s41598-019-49907-2

Influence of 2s Bloch wave state excitations on quantitative HAADF STEM imaging; Wouters C., Markurt T., Albrecht M., Rotunno E., Grillo V.; Physical Review B (100); 184106 (2019) 10.1103/PhysRevB.100.184106

Quantum optimal control theory for solvated systems; Rosa M., Gil G., Corni S., Cammi R.; Journal of Chemical Physics (151); 194109 (2019) 10.1063/1.5125184

Microwave-Assisted Tunneling in Hard-Wall InAs/InP Nanowire Quantum Dots; Cornia S., Rossella F., Demontis V., Zannier V., Beltram F., Sorba L., Affronte M., Ghirri A.; Scientific Reports (9); 19523 (2019) 10.1038/s41598-019-56053-2

A combined experimental and theoretical study on the mechanisms behind tribocharging phenomenon and the influence of triboemission; Ciniero A., Fatti G., Righi M.C., Dini D., Reddyhoff T.; Tribology Online (14); 367-374 (2019) 10.2474/trol.14.367

Direct quantification of Cu vacancies and spatial localization of surface plasmon resonances in copper phosphide nanocrystals; Bertoni G., Ramasse Q., Brescia R., de Trizio L., de Donato F., Manna L.; ACS Materials Letters (1); 665-670 (2019) 10.1021/acsmaterialslett.9b00412

Interplay between Intra- A nd intermolecular charge transfer in the optical excitations of J-aggregates; Guerrini M., Cocchi C., Calzolari A., Varsano D., Corni S.; Journal of Physical Chemistry C (2019) 10.1021/acs.jpcc.8b11709

Plasmonics with refractory TiN; Calzolari A., Catellani A.; International Conference on Metamaterials, Photonic Crystals and Plasmonics 216-217 (2019)

Reduction and Oxidation of Maghemite (001) Surfaces: The Role of Iron Vacancies; Righi G., Magri R.; Journal of Physical Chemistry C (123); 15648-15658 (2019) 10.1021/acs.jpcc.9b03657

Hybridized electronic states between CdSe nanoparticles and conjugated organic ligands: A theoretical and ultrafast photo-excited carrier dynamics study; Virgili T., Calzolari A., Suárez López I., Ruini A., Catellani A., Vercelli B., Tassone F.; Nano Research (11); 142-150 (2018) 10.1007/s12274-017-1613-4

First Principle Studies of B and P Doped Si Nanocrystals; Marri I., Degoli E., Ossicini S.; Physica Status Solidi (A) Applications and Materials Science (215); 1700414 (2018) 10.1002/pssa.201700414

Breathing bands due to molecular order in CH3NH3PbI3; Wierzbowska M., Meléndez J.J., Varsano D.; Computational Materials Science (142); 361-371 (2018) 10.1016/j.commatsci.2017.10.039

Water adsorption on diamond (111) surfaces: an ab initio study; Levita G., Kajita S., Righi M.C.; Carbon (127); 533-540 (2018) 10.1016/j.carbon.2017.11.010

Probing magnetic coupling between LnPc2 (Ln = Tb, Er) molecules and the graphene/Ni (111) substrate with and without Au-intercalation: Role of the dipolar field; Corradini V., Candini A., Klar D., Biagi R., De Renzi V., Lodi Rizzini A., Cavani N., Del Pennino U., Klyatskaya S., Ruben M., Velez-Fort E., Kummer K., Brookes N.B., Gargiani P., Wende H., Affronte M.; Nanoscale (10); 277-283 (2018) 10.1039/c7nr06610d

Bright Electroluminescence from Single Graphene Nanoribbon Junctions; Chong M., Afshar-Imani N., Scheurer F., Cardoso C., Ferretti A., Prezzi D., Schull G.; Nano Letters (18); 175-181 (2018) 10.1021/acs.nanolett.7b03797

Mechanical phenotyping of K562 cells by the Micropipette Aspiration Technique allows identifying mechanical changes induced by drugs; Di Cerbo A., Rubino V., Morelli F., Ruggiero G., Landi R., Guidetti G., Canello S., Terrazzano G., Alessandrini A.; Scientific Reports (8); 1219 (2018) 10.1038/s41598-018-19563-z

Quantum metrology at level anticrossing; Ghirardi L., Siloi I., Bordone P., Troiani F., Paris M.G.A.; Physical Review A (97); 012120 (2018) 10.1103/PhysRevA.97.012120

‘Twisted’ electrons; Larocque H., Kaminer I., Grillo V., Leuchs G., Padgett M.J., Boyd R.W., Segev M., Karimi E.; Contemporary Physics (59); 126-144 (2018) 10.1080/00107514.2017.1418046

Probing the sign of the Hubbard interaction by two-particle quantum walks; Beggi A., Razzoli L., Bordone P., Paris M.G.A.; Physical Review A (97); 013610 (2018) 10.1103/PhysRevA.97.013610

Conflicting effect of chemical doping on the thermoelectric response of ordered PEDOT aggregates; Cigarini L., Ruini A., Catellani A., Calzolari A.; Physical Chemistry Chemical Physics (20); 5021-5027 (2018) 10.1039/c7cp07898f

VO2 as a natural optical metamaterial; Eaton M., Catellani A., Calzolari A.; Optics Express (26); 5342-5357 (2018) 10.1364/OE.26.005342

High-speed measurements of steel-ice friction: Experiment vs. calculation; Scherge M., Böttcher R., Spagni A., Marchetto D.; Lubricants (6); 26 (2018) 10.3390/lubricants6010026

Low pressure bottom-up synthesis of metal@oxide and oxide nanoparticles: Control of structure and functional properties; D'Addato S., Spadaro M.C.; Physica Scripta (93); 033001 (2018) 10.1088/1402-4896/aa9db7

Citrate stabilized gold nanoparticles interfere with amyloid fibril formation: D76N and Δn6 β2-microglobulin variants; Brancolini G., Maschio M., Cantarutti C., Corazza A., Fogolari F., Bellotti V., Corni S., Esposito G.; Nanoscale (10); 4793-4806 (2018) 10.1039/c7nr06808e

Structural Ordering of Molybdenum Disulfide Studied via Reactive Molecular Dynamics Simulations; Nicolini P., Capozza R., Restuccia P., Polcar T.; ACS Applied Materials and Interfaces (10); 8937-8946 (2018) 10.1021/acsami.7b17960

Density-Dependent Formulation of Dispersion-Repulsion Interactions in Hybrid Multiscale Quantum/Molecular Mechanics (QM/MM) Models; Curutchet C., Cupellini L., Kongsted J., Corni S., Frediani L., Steindal A., Guido C., Scalmani G., Mennucci B.; Journal of Chemical Theory and Computation (14); 1671-1681 (2018) 10.1021/acs.jctc.7b00912

Doping and oxidation effects under ambient conditions in copper surfaces: A "real-life" CuBe surface; Glaser M., Ciccullo F., Giangrisostomi E., Ovsyannikov R., Calzolari A., Casu M.; Journal of Materials Chemistry C (6); 2769-2777 (2018) 10.1039/c7tc04983h

Cooperativity in plastic crystals; Pieruccini M., Tombari E.; Physical Review E (97); 032116 (2018) 10.1103/PhysRevE.97.032116

Magnetic characterization of cobalt nanowires and square nanorings fabricated by focused electron beam induced deposition; Venturi F., Gazzadi G.C., Tavabi A.H., Rota A., Dunin-Borkowski R.E., Frabboni S.; Beilstein Journal of Nanotechnology (9); 1040-1049 (2018) 10.3762/bjnano.9.97

Excitons in Core-Shell Nanowires with Polygonal Cross Sections; Sitek A., Urbaneja Torres M., Torfason K., Gudmundsson V., Bertoni A., Manolescu A.; Nano Letters (18); 2581-2589 (2018) 10.1021/acs.nanolett.8b00309

Tuning Rashba spin-orbit coupling in homogeneous semiconductor nanowires; Wójcik P., Bertoni A., Goldoni G.; Physical Review B (97); 165401 (2018) 10.1103/PhysRevB.97.165401

Ferromagnetic and Antiferromagnetic Coupling of Spin Molecular Interfaces with High Thermal Stability; Avvisati G., Cardoso C., Varsano D., Ferretti A., Gargiani P., Betti M.G.; Nano Letters (18); 2268-2273 (2018) 10.1021/acs.nanolett.7b04836

Spin dynamics in the single-ion magnet [Er(W5 O18)2]9-; Mariani M., Borsa F., Graf M.J., Sanna S., Filibian M., Orlando T., Sabareesh K.P.V., Cardona-Serra S., Coronado E., Lascialfari A.; Physical Review B (97); 144414 (2018) 10.1103/PhysRevB.97.144414

On the use of superparamagnetic hydroxyapatite nanoparticles as an agent for magnetic and nuclear in vivo imaging; Adamiano A., Iafisco M., Sandri M., Basini M., Arosio P., Canu T., Sitia G., Esposito A., Iannotti V., Ausanio G., Fragogeorgi E., Rouchota M., Loudos G., Lascialfari A., Tampieri A.; Acta Biomaterialia (73); 458-469 (2018) 10.1016/j.actbio.2018.04.040

All-electrical scheme for hall viscosity measurement; Pellegrino F.M.D., Torre I., Polini M.; Many-body Approaches at Different Scales: A Tribute to Norman H. March on the Occasion of his 90th Birthday 11-19 (2018) 10.1007/978-3-319-72374-7_2

Screening in Orbital-Density-Dependent Functionals; Colonna N., Nguyen N.L., Ferretti A., Marzari N.; Journal of Chemical Theory and Computation (14); 2549-2557 (2018) 10.1021/acs.jctc.7b01116

Tuning hydrogen adsorption on graphene by gate voltage; Murata Y., Calzolari A., Heun S.; Journal of Physical Chemistry C (122); 11591-11597 (2018) 10.1021/acs.jpcc.8b03627

Adsorption Mechanisms of Nucleobases on the Hydrated Au(111) Surface; Rosa M., Di Felice R., Corni S.; Langmuir (34); 14749-14756 (2018) 10.1021/acs.langmuir.8b00065

Charge transfer excitations from exact and approximate ensemble Kohn-Sham theory; Gould T., Kronik L., Pittalis S.; Journal of Chemical Physics (148); 174101 (2018) 10.1063/1.5022832

High spin cycles: Topping the spin record for a single molecule verging on quantum criticality; Baniodeh A., Magnani N., Lan Y., Buth G., Anson C., Richter J., Affronte M., Schnack J., Powell A.; npj Quantum Materials (3); 10 (2018) 10.1038/s41535-018-0082-7

Contribution of the residue at position 4 within classical nuclear localization signals to modulating interaction with importins and nuclear targeting; Smith K., Di Antonio V., Bellucci L., Thomas D., Caporuscio F., Ciccarese F., Ghassabian H., Wagstaff K., Forwood J., Jans D., Palù G., Alvisi G.; Biochimica et Biophysica Acta - Molecular Cell Research (1865); 1114-1129 (2018) 10.1016/j.bbamcr.2018.05.006

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Publications S3@NANO