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Publications S3@NANO
S3 Publications 2002-2010

 Publications S3@NANO

 

 

year:
found 1381 publications
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  • aflow.org: A web ecosystem of databases, software and tools; Esters M., Oses C., Divilov S., Eckert H., Friedrich R., Hicks D., Mehl M.J., Rose F., Smolyanyuk A., Calzolari A., Campilongo X., Toher C., Curtarolo S.; Computational Materials Science (216); 111808 (2023) 10.1016/j.commatsci.2022.111808

  • Coupling Sub-nanoliter BDPA Organic Radical Spin Ensembles with YBCO Inverse Anapole Resonators; Bonizzoni C., Maksutoglu M., Ghirri A., van Tol J., Rameev B., Affronte M.; Applied Magnetic Resonance (54); 143-164 (2023) 10.1007/s00723-022-01505-8

  • Enhancing Tungsten Oxide Gasochromism with Noble Metal Nanoparticles: The Importance of the Interface; Longato A., Vanzan M., Colusso E., Corni S., Martucci A.; Small (19); 2205522 (2023) 10.1002/smll.202205522

  • Tuning the Electronic Response of Metallic Graphene by Potassium Doping; Marchiani D., Tonelli A., Mariani C., Frisenda R., Avila J., Dudin P., Jeong S., Ito Y., Magnani F.S., Biagi R., De Renzi V., Betti M.G.; Nano Letters (23); 170-176 (2023) 10.1021/acs.nanolett.2c03891

  • Automatic Alignment of an Orbital Angular Momentum Sorter in a Transmission Electron Microscope Using a Convolutional Neural Network; Rosi P., Clausen A., Weber D., Tavabi A.H., Frabboni S., Tiemeijer P., Dunin-Borkowski R.E., Rotunno E., Grillo V.; Microscopy and Microanalysis (29); 408-417 (2023) 10.1017/S143192762201248X

  • Interplay of Quantum Confinement and Strain Effects in Type I to Type II Transition in GeSi Core-Shell Nanocrystals; Marri I., Grillo S., Amato M., Ossicini S., Pulci O.; Journal of Physical Chemistry C (127); 1209-1219 (2023) 10.1021/acs.jpcc.2c07024

  • Photocatalytic degradation of sulfamethoxazole with Co-CuS@TiO2 heterostructures under solar light irradiation; Mertah O., Gómez-Avilés A., Slassi A., Kherbeche A., Belver C., Bedia J.; Catalysis Communications (175); 106611 (2023) 10.1016/j.catcom.2023.106611

  • Multi-Dimensional Quantum Capacitance of the Two-Site Hubbard Model: The Role of Tunable Interdot Tunneling; Secchi A., Troiani F.; Entropy (25); 82 (2023) 10.3390/e25010082

  • Heat-Driven Iontronic Nanotransistors; Prete D., Colosimo A., Demontis V., Medda L., Zannier V., Bellucci L., Tozzini V., Sorba L., Beltram F., Pisignano D., Rossella F.; Advanced Science (10); 2204120 (2023) 10.1002/advs.202204120

  • Anharmonic Exciton-Phonon Coupling in Metal-Organic Chalcogenides Hybrid Quantum Wells; Kastl C., Bonfà P., Maserati L.; Advanced Optical Materials (11); 2202213 (2023) 10.1002/adom.202202213

  • Device-to-Materials Pathway for Electron Traps Detection in Amorphous GeSe-Based Selectors; Slassi A., Medondjio L.S., Padovani A., Tavanti F., He X., Clima S., Garbin D., Kaczer B., Larcher L., Ordejón P., Calzolari A.; Advanced Electronic Materials (9); 2201224 (2023) 10.1002/aelm.202201224

  • Vibrational response functions for multidimensional electronic spectroscopy in nonadiabatic models; Troiani F.; Journal of Chemical Physics (158); 054110 (2023) 10.1063/5.0129073

  • Effect of uniaxial strain on the excitonic properties of monolayer C3 N: A symmetry-based analysis; Zanfrognini M., Spallanzani N., Bonacci M., Molinari E., Ruini A., Caldas M.J., Ferretti A., Varsano D.; Physical Review B (107); 045430 (2023) 10.1103/PhysRevB.107.045430

  • Tribological behaviour of Ti3C2T x nano-sheets: Substrate-dependent tribo-chemical reactions; Rota A., Bellina N., Wang B., Rosenkranz A.; Friction (2023) 10.1007/s40544-022-0709-3

  • Chirality-Specific Unidirectional Rotation of Molecular Motors on Cu(111); Schied M., Prezzi D., Liu D., Kowarik S., Jacobson P.A., Corni S., Tour J.M., Grill L.; ACS Nano (17); 3958-3965 (2023) 10.1021/acsnano.2c12720

  • The Conformational Dynamics of the Ligands Determines the Electronic Circular Dichroism of the Chiral Au38(SC2H4Ph)24 Cluster; Monti M., Brancolini G., Coccia E., Toffoli D., Fortunelli A., Corni S., Aschi M., Stener M.; Journal of Physical Chemistry Letters (14); 1941-1948 (2023) 10.1021/acs.jpclett.2c03923

  • The Impact of Lattice Distortions on the Magnetic Stability of Single Atoms: Dy and Ho on BaO(100); Sorokin B.V., Pivetta M., Bellini V., Merk D., Reynaud S., Barla A., Brune H., Rusponi S.; Advanced Functional Materials (2023) 10.1002/adfm.202213951

  • Cytochalasin B Influences Cytoskeletal Organization and Osteogenic Potential of Human Wharton’s Jelly Mesenchymal Stem Cells; Pampanella L., Abruzzo P.M., Tassinari R., Alessandrini A., Petrocelli G., Ragazzini G., Cavallini C., Pizzuti V., Collura N., Canaider S., Facchin F., Ventura C.; Pharmaceuticals (16); 289 (2023) 10.3390/ph16020289

  • Site-Selective Chemical Vapor Deposition on Direct-Write 3D Nanoarchitectures; Porrati F., Barth S., Gazzadi G.C., Frabboni S., Volkov O.M., Makarov D., Huth M.; ACS Nano (17); 4704-4715 (2023) 10.1021/acsnano.2c10968

  • Non-covalent Functionalization of Pristine and Defective WSe2 by Electron Donor and Acceptor Molecules; Slassi A., Gali A., Cornil J., Pershin A.; ACS Applied Electronic Materials (5); 1660-1669 (2023) 10.1021/acsaelm.2c01718

  • A HydroDynamic Model for Trap-Assisted Tunneling Conduction in Ovonic Devices; Buscemi F., Piccinini E., Vandelli L., Nardi F., Padovani A., Kaczer B., Garbin D., Clima S., Degraeve R., Kar G.S., Tavanti F., Slassi A., Calzolari A., Larcher L.; IEEE Transactions on Electron Devices (70); 1808-1814 (2023) 10.1109/TED.2023.3242229

  • Influence of chirality on the aggregation of a new A-π-D-π-A small molecule with a benzodithiophene core: Spectroscopic and morphological investigations; Parenti F., Capelli R., Mucci A., Mortalò C., Paolicelli G., Pigani L., Vanossi D., Caselli M.; Optical Materials (138); 113619 (2023) 10.1016/j.optmat.2023.113619

  • First-principles study of luminescence in hexagonal boron nitride single layer: Exciton-phonon coupling and the role of substrate; Lechifflart P., Paleari F., Sangalli D., Attaccalite C.; Physical Review Materials (7); 024006 (2023) 10.1103/PhysRevMaterials.7.024006

  • Graphite-epoxy composites for bipolar plates: The gas permeability issue; Roncaglia F., Mucci A., Romagnoli M., Spinelli L., di Bona A., Biagi R.; International Journal of Hydrogen Energy (2023) 10.1016/j.ijhydene.2022.12.311

  • A first-principles study of self-healing binders for next-generation Si-based lithium-ion batteries; Maji R., Salvador M.A., Ruini A., Magri R., Degoli E.; Materials Today Chemistry (29); 101474 (2023) 10.1016/j.mtchem.2023.101474

  • Photoluminescence Spectroscopy of Cuprous Oxide: Bulk Crystal versus Crystalline Films; Soltanmohammadi M., Spurio E., Gloystein A., Luches P., Nilius N.; Physica Status Solidi (A) Applications and Materials Science (2023) 10.1002/pssa.202200887

  • Electronic Excited States in Extreme Limits via Ensemble Density Functionals; Gould T., Kooi D.P., Gori-Giorgi P., Pittalis S.; Physical Review Letters (130); 106401 (2023) 10.1103/PhysRevLett.130.106401

  • High electrochemical stability and low-agglomeration of defective Co3O4 nanoparticles supported on N-doped graphitic carbon nano-spheres for oxygen evolution reaction; El Jaouhari A., Slassi A., Zhang X., Pershin A., Ahsaine H.A., Li C., Lin Y.; International Journal of Hydrogen Energy (2023) 10.1016/j.ijhydene.2023.02.112

  • Efficient GW calculations in two dimensional materials through a stochastic integration of the screened potential; Guandalini A., D’Amico P., Ferretti A., Varsano D.; npj Computational Materials (9); 44 (2023) 10.1038/s41524-023-00989-7

  • Suppression of grain boundary contributions on carrier mobility in thin Al-doped ZnO epitaxial films; Magrin Maffei R., di Bona A., Sygletou M., Bisio F., D'Addato S., Benedetti S.; Applied Surface Science (624); 157133 (2023) 10.1016/j.apsusc.2023.157133

  • Photoactive p-Type Spinel CuGa2O4 Nanocrystals; Kendall O., Melendez L.V., Ren J., Ratnayake S.P., Murdoch B.J., Mayes E.L.H., van Embden J., Gómez D.E., Calzolari A., Della Gaspera E.; Nano Letters (23); 2974-2980 (2023) 10.1021/acs.nanolett.3c00359

  • Theory of multidimensional quantum capacitance and its application to spin and charge discrimination in quantum dot arrays; Secchi A., Troiani F.; Physical Review B (107); 155411 (2023) 10.1103/PhysRevB.107.155411

  • Friction and wear of DLC films deposited on additive manufactured AlSi10Mg: the role of surface finishing; Salerno E., Casotti D., Paolicelli G., Gualtieri E., Ballestrazzi A., Gazzadi G.C., Bolelli G., Lusvarghi L., Valeri S., Rota A.; Surface and Coatings Technology (463); 129531 (2023) 10.1016/j.surfcoat.2023.129531

  • Coherent Quantum Network of Superconducting Qubits as a Highly Sensitive Detector of Microwave Photons for Searching of Galactic Axions; Gatti C., Affronte M., Balanov A., Bonizzoni C., Brida G., Chiariello F., Chikhi N., Coda G., D'Elia A., Gioacchino D.D., Enrico E., Eremin I., Ernajes M., Il'ichev E., Fasolo L., Fistul M., Ghirri A., Greco A., Ligi C., Maccarone G., Meda A., Navez P., Oelsner G., Rajteri M., Rettaroli A., Ruggiero B., Savel'ev S., Silvestrini P., Tocci S., Ustinov A., Vanacore P., Zagoskin A., Lisitskiy M.; IEEE Transactions on Applied Superconductivity (2023) 10.1109/TASC.2023.3263807

  • Long-range electrostatic contribution to electron-phonon couplings and mobilities of two-dimensional and bulk materials; Poncé S., Royo M., Stengel M., Marzari N., Gibertini M.; Physical Review B (107); 155424 (2023) 10.1103/PhysRevB.107.155424

  • Accurate Prediction of Hall Mobilities in Two-Dimensional Materials through Gauge-Covariant Quadrupolar Contributions; Poncé S., Royo M., Gibertini M., Marzari N., Stengel M.; Physical Review Letters (13); 166301 (2023) 10.1103/PhysRevLett.130.166301

  • Structural and Dynamic Characterization of Li–Ionic Liquid Electrolyte Solutions for Application in Li-Ion Batteries: A Molecular Dynamics Approach; Salvador M.A., Maji R., Rossella F., Degoli E., Ruini A., Magri R.; Batteries (9); 234 (2023) 10.3390/batteries9040234

  • Single-Pixel Imaging in Space and Time with Optically Modulated Free Electrons; Konečná A., Rotunno E., Grillo V., García de Abajo F.J., Vanacore G.M.; ACS Photonics (2023) 10.1021/acsphotonics.3c00047

  • Thermoelectric and Structural Properties of Sputtered AZO Thin Films with Varying Al Doping Ratios; Isram M., Magrin Maffei R., Demontis V., Martini L., Forti S., Coletti C., Bellani V., Mescola A., Paolicelli G., Rota A., Benedetti S., Bona A.d., Ribeiro J.M., Tavares C.J., Rossella F.; Coatings (13); 691 (2023) 10.3390/coatings13040691

  • Efficient full frequency GW for metals using a multipole approach for the dielectric screening; Leon D.A., Ferretti A., Varsano D., Molinari E., Cardoso C.; Physical Review B (107); 155130 (2023) 10.1103/PhysRevB.107.155130

  • Roadmap on thermoelectricity; Artini C., Pennelli G., Graziosi P., Li Z., Neophytou N., Melis C., Colombo L., Isotta E., Lohani K., Scardi P., Castellero A., Baricco M., Palumbo M., Casassa S., Maschio L., Pani M., Latronico G., Mele P., Di Benedetto F., Contento G., De Riccardis M.F., Fucci R., Palazzo B., Rizzo A., Demontis V., Prete D., Isram M., Rossella F., Ferrario A., Miozzo A., Boldrini S., Dimaggio E., Franzini M., Galliano S., Barolo C., Mardi S., Reale A., Lorenzi B., Narducci D., Trifiletti V., Milita S., Bellucci A., Trucchi D.M.; Nanotechnology (34); 292001 (2023) 10.1088/1361-6528/acca88

  • Defective graphene decorated with TiO2 nanoparticles as negative electrode in Li-ion batteries; Sidoli M., Magnani G., Fornasini L., Scaravonati S., Morenghi A., Vezzoni V., Bersani D., Bertoni G., Gaboardi M., Riccò M., Pontiroli D.; Journal of Alloys and Compounds (958); 170420 (2023) 10.1016/j.jallcom.2023.170420

  • Injecting Electrons into CeO2 via Photoexcitation of Embedded Au Nanoparticles; Spurio E., Pelli Cresi J.S., Ammirati G., Pelatti S., Paladini A., D’Addato S., Turchini S., O’Keeffe P., Catone D., Luches P.; ACS Photonics (10); 1566-1574 (2023) 10.1021/acsphotonics.3c00184

  • Anisotropic rheology and friction of suspended graphene; Mescola A., Silva A., Khosravi A., Vanossi A., Tosatti E., Valeri S., Paolicelli G.; Physical Review Materials (7); 054007 (2023) 10.1103/PhysRevMaterials.7.054007

  • Liquid metal fabrication of ultrathin Ga2O3 and GaN layers for integrated optics; Pedram P., Zavabeti A., Syed N., Slassi A., Nguyen C.K., Fornacciari B., Lamirand A., Galipaud J., Calzolari A., Boes A., Daeneke T., Cueff S., Mitchell A., Monat C.; Proceedings of SPIE - The International Society for Optical Engineering (12423); 1242309 (2023) 10.1117/12.2659145

  • Towards high-throughput many-body perturbation theory: efficient algorithms and automated workflows; Bonacci M., Qiao J., Spallanzani N., Marrazzo A., Pizzi G., Molinari E., Varsano D., Ferretti A., Prezzi D.; npj Computational Materials (9); 74 (2023) 10.1038/s41524-023-01027-2

  • Thermodynamic Evolution of a Metamorphic Protein: A Theoretical-Computational Study of Human Lymphotactin; Zanetti-Polzi L., Daidone I., Iacobucci C., Amadei A.; Protein Journal (42); 219-228 (2023) 10.1007/s10930-023-10123-7

  • Structural analysis of water networks; Benzi M., Daidone I., Faccio C., Zanetti-Polzi L.; Journal of Complex Networks (11); cnad001 (2023) 10.1093/comnet/cnad001

  • Gate-Controlled Magnetotransport and Electrostatic Modulation of Magnetism in 2D Magnetic Semiconductor CrPS4; Wu F., Gibertini M., Watanabe K., Taniguchi T., Gutiérrez-Lezama I., Ubrig N., Morpurgo A.F.; Advanced Materials (2023) 10.1002/adma.202211653

  • The NF–Y splicing signature controls hybrid EMT and ECM-related pathways to promote aggressiveness of colon cancer; Rigillo G., Belluti S., Campani V., Ragazzini G., Ronzio M., Miserocchi G., Bighi B., Cuoghi L., Mularoni V., Zappavigna V., Dolfini D., Mercatali L., Alessandrini A., Imbriano C.; Cancer Letters (567); 216262 (2023) 10.1016/j.canlet.2023.216262

  • QM/Classical Modeling of Surface Enhanced Raman Scattering Based on Atomistic Electromagnetic Models; Lafiosca P., Nicoli L., Bonatti L., Giovannini T., Corni S., Cappelli C.; Journal of Chemical Theory and Computation (19); 3616-3633 (2023) 10.1021/acs.jctc.3c00177

  • Advances in ultrafast plasmonics; Koya A.N., Romanelli M., Kuttruff J., Henriksson N., Stefancu A., Grinblat G., De Andres A., Schnur F., Vanzan M., Marsili M., Rahaman M., Viejo Rodríguez A., Tapani T., Lin H., Dana B.D., Lin J., Barbillon G., Proietti Zaccaria R., Brida D., Jariwala D., Veisz L., Cortés E., Corni S., Garoli D., Maccaferri N.; Applied Physics Reviews (10); 021318 (2023) 10.1063/5.0134993

  • One-Dimensional “Ghost Imaging” in Electron Microscopy of Inelastically Scattered Electrons; Rotunno E., Gargiulo S., Vanacore G.M., Mechel C., Tavabi A.H., Dunin-Borkowski R.E., Carbone F., Madan I., Frabboni S., Guner T., Karimi E., Kaminer I., Grillo V.; ACS Photonics (10); 1708-1715 (2023) 10.1021/acsphotonics.2c01925

  • Mechanism and Dynamics of Photodecarboxylation Catalyzed by Lactate Monooxygenase; Li X., Page C.G., Zanetti-Polzi L., Kalra A.P., Oblinsky D.G., Daidone I., Hyster T.K., Scholes G.D.; Journal of the American Chemical Society (145); 13232-13240 (2023) 10.1021/jacs.3c02446

  • Long-Term Degradation Mechanisms in Application-Implemented Radical Thin Films; Nowik-Boltyk E.M., Junghoefer T., Glaser M., Giangrisostomi E., Ovsyannikov R., Zhang S., Shu C., Rajca A., Calzolari A., Casu M.B.; ACS Applied Materials and Interfaces (15); 30935-30943 (2023) 10.1021/acsami.3c02057

  • Expansion of the Materials Cloud 2D Database; Campi D., Mounet N., Gibertini M., Pizzi G., Marzari N.; ACS Nano (17); 11268-11278 (2023) 10.1021/acsnano.2c11510

  • Quenching of low-energy optical absorption in bilayer C3 N polytypes; Zanfrognini M., Bonacci M., Paleari F., Molinari E., Ruini A., Ferretti A., Caldas M.J., Varsano D.; Physical Review Materials (7); 064006 (2023) 10.1103/PhysRevMaterials.7.064006

  • Simple and effective screening parameter for range-separated dielectric-dependent hybrids; Jana S., Ghosh A., Constantin L.A., Samal P.; Physical Review B (108); 045101 (2023) 10.1103/PhysRevB.108.045101

  • Human Small Heat Shock Protein B8 Inhibits Protein Aggregation without Affecting the Native Folding Process; Choudhary D., Mediani L., Avellaneda M.J., Bjarnason S., Alberti S., Boczek E.E., Heidarsson P.O., Mossa A., Carra S., Tans S.J., Cecconi C.; Journal of the American Chemical Society (2023) 10.1021/jacs.3c02022

  • The beauty and complexity of the small heat shock proteins: a report on the proceedings of the fourth workshop on small heat shock proteins; Ecroyd H., Bartelt-Kirbach B., Ben-Zvi A., Bonavita R., Bushman Y., Casarotto E., Cecconi C., Lau W.C.Y., Hibshman J.D., Joosten J., Kimonis V., Klevit R., Liberek K., McMenimen K.A., Miwa T., Mogk A., Montepietra D., Peters C., Rocchetti M.T., Saman D., Sisto A., Secco V., Strauch A., Taguchi H., Tanguay M., Tedesco B., Toth M.E., Wang Z., Benesch J.L.P., Carra S.; Cell Stress and Chaperones (2023) 10.1007/s12192-023-01360-x

  • Dielectric response and excitations of hydrogenated free-standing graphene; Betti M.G., Marchiani D., Tonelli A., Sbroscia M., Blundo E., De Luca M., Polimeni A., Frisenda R., Mariani C., Jeong S., Ito Y., Cavani N., Biagi R., Gillespie P.N.O., Hernandez Bertran M.A., Bonacci M., Molinari E., De Renzi V., Prezzi D.; Carbon Trends (12); 100274 (2023) 10.1016/j.cartre.2023.100274

  • Experimental investigation of electronic interactions in collapsed and uncollapsed LaFe2As2 phases; Pallecchi I., Stellino E., Postorino P., Iyo A., Ogino H., Affronte M., Putti M.; Physical Review B (108); 014512 (2023) 10.1103/PhysRevB.108.014512

  • Ultrastrong Magnon-Photon Coupling Achieved by Magnetic Films in Contact with Superconducting Resonators; Ghirri A., Bonizzoni C., Maksutoglu M., Mercurio A., Di Stefano O., Savasta S., Affronte M.; Physical Review Applied (20); 024039 (2023) 10.1103/PhysRevApplied.20.024039

  • Multiple antiferromagnetic phases and magnetic anisotropy in exfoliated CrBr3 multilayers; Yao F., Multian V., Wang Z., Ubrig N., Teyssier J., Wu F., Giannini E., Gibertini M., Gutiérrez-Lezama I., Morpurgo A.F.; Nature Communications (14); 4969 (2023) 10.1038/s41467-023-40723-x

  • Field-driven attosecond charge dynamics in germanium; Inzani G., Adamska L., Eskandari-asl A., Di Palo N., Dolso G.L., Moio B., D’Onofrio L.J., Lamperti A., Molle A., Borrego-Varillas R., Nisoli M., Pittalis S., Rozzi C.A., Avella A., Lucchini M.; Nature Photonics (2023) 10.1038/s41566-023-01274-1

  • Vibrational response functions for multidimensional electronic spectroscopy: From Duschinsky rotations to multimode squeezed coherent states; Quintela Rodriguez F.E., Troiani F.; The Journal of chemical physics (159); (2023) 10.1063/5.0162594

  • An Electron Computational Ghost Imaging Setup for High Resolution Imaging; Rosi P., Viani L., Rotunno E., Tavabi A., Borkowski R.E.D., Frabboni S., Grillo V.; Microscopy and microanalysis : the official journal of Microscopy Society of America, Microbeam Analysis Society, Microscopical Society of Canada (29); 336-338 (2023) 10.1093/micmic/ozad067.157

  • A statistical mechanical model of supercooled water based on minimal clusters of correlated molecules; Daidone I., Foffi R., Amadei A., Zanetti-Polzi L.; The Journal of chemical physics (159); (2023) 10.1063/5.0157505

  • Defect-Engineering by Solvent Mediated Mild Oxidation as a Tool to Induce Exchange Bias in Metal Doped Ferrites; Muzzi B., Albino M., Petrecca M., Innocenti C., de Julián Fernández C., Bertoni G., Ibarra M.R., Christensen M., Avdeev M., Marquina C., Sangregorio C.; Small Methods (2023) 10.1002/smtd.202300647

  • Magnetism-Induced Band-Edge Shift as the Mechanism for Magnetoconductance in CrPS4 Transistors; Wu F., Gibertini M., Watanabe K., Taniguchi T., Gutiérrez-Lezama I., Ubrig N., Morpurgo A.F.; Nano Letters (2023) 10.1021/acs.nanolett.3c02274

  • koopmans: An Open-Source Package for Accurately and Efficiently Predicting Spectral Properties with Koopmans Functionals; Linscott E.B., Colonna N., De Gennaro R., Nguyen N.L., Borghi G., Ferretti A., Dabo I., Marzari N.; Journal of Chemical Theory and Computation (2023) 10.1021/acs.jctc.3c00652

  • Author Correction: Multiple antiferromagnetic phases and magnetic anisotropy in exfoliated CrBr3 multilayers (Nature Communications, (2023), 14, 1, (4969), 10.1038/s41467-023-40723-x); Yao F., Multian V., Wang Z., Ubrig N., Teyssier J., Wu F., Giannini E., Gibertini M., Gutiérrez-Lezama I., Morpurgo A.F.; Nature Communications (14); 5771 (2023) 10.1038/s41467-023-41613-y

  • Deconstructing Electrostatics of Functionalized Metal Nanoparticles from Molecular Dynamics Simulations; Bini M., Tozzini V., Brancolini G.; Journal of Physical Chemistry B (127); 8226-8241 (2023) 10.1021/acs.jpcb.3c03481

  • Measuring the Ultrafast Dynamic of Nanoparticle Temperature on the fs-to-ps Time Scale; Bisio F., Ferrera M., Sygletou M., Magnozzi M., Catone D., O'keeffe P., Paladini A., Toschi F., Benedetti S., Pierantozzi G.M., Cucini R., Di Bona A., Torelli P., Della Valle G., Panaccione G., Canepa M.; International Conference on Metamaterials, Photonic Crystals and Plasmonics 140-141 (2023)

  • A TD-DFT Approach for Polariton Chemistry: Polaritonic and Charge Transfer Excitations in Azobenzene Photoisomerization; Cascino L., Corni S., D'Agostino S.; International Conference on Metamaterials, Photonic Crystals and Plasmonics 1379-1380 (2023)

  • Semilocal Meta-GGA Exchange-Correlation Approximation from Adiabatic Connection Formalism: Extent and Limitations; Jana S., Śmiga S., Constantin L.A., Samal P.; The journal of physical chemistry. A (127); 8685-8697 (2023) 10.1021/acs.jpca.3c03976

  • Unveiling the Thermoelectric Performances of Zn1−xFexSe Nanoparticles Prepared by the Hydrothermal Method; Isram M., Demontis V., Magrin Maffei R., Abbas Khan N., di Bona A., Benedetti S., Amin N., Mahmood K., Rossella F.; Inorganics (11); 286 (2023) 10.3390/inorganics11070286

  • A Perspective on Sustainable Computational Chemistry Software Development and Integration; Di Felice R., Mayes M.L., Richard R.M., Williams-Young D.B., Chan G.K.L., de Jong W.A., Govind N., Head-Gordon M., Hermes M.R., Kowalski K., Li X., Lischka H., Mueller K.T., Mutlu E., Niklasson A.M.N., Pederson M.R., Peng B., Shepard R., Valeev E.F., van Schilfgaarde M., Vlaisavljevich B., Windus T.L., Xantheas S.S., Zhang X., Zimmerman P.M.; Journal of Chemical Theory and Computation (2023) 10.1021/acs.jctc.3c00419

  • Light-Driven Attosecond Photoinjection in Germanium; Inzani G., Adamska L., Eskandari-Asl A., Di Palo N., Dolso G.L., Moio B., D'Onofrio L.J., Lamperti A., Molle A., Borrego-Varillas R., Nisoli M., Pittalis S., Rozzi C.A., Avella A., Lucchini M.; 2023 Conference on Lasers and Electro-Optics Europe and European Quantum Electronics Conference, CLEO/Europe-EQEC 2023 (2023) 10.1109/CLEO/EUROPE-EQEC57999.2023.10232008

  • Enhanced connectivity and mobility in liquid water: Implications for the high density liquid structure and its onset; Faccio C., Di Fonte N., Daidone I., Zanetti-Polzi L.; Journal of Molecular Liquids (392); 123425 (2023) 10.1016/j.molliq.2023.123425

  • Effect of Strain on Interactions of Σ3{111} Silicon Grain Boundary with Oxygen Impurities from First Principles; Maji R., Contreras-García J., Luppi E., Degoli E.; Physica Status Solidi (B) Basic Research (259); 2100377 (2022) 10.1002/pssb.202100377

  • Enhancement of oxygen evolution reaction by X-doped (X = Se, S, P) holey graphitic carbon shell encapsulating NiCoFe nanoparticles: a combined experimental and theoretical study; El Jaouhari A., Slassi A., Zhang B., Liu W., Cornil D., Zhu J., Wu X., Zhou D., Liu X.; Materials Today Chemistry (23); 100706 (2022) 10.1016/j.mtchem.2021.100706

  • Evidence for equilibrium exciton condensation in monolayer WTe2; Sun B., Zhao W., Palomaki T., Fei Z., Runburg E., Malinowski P., Huang X., Cenker J., Cui Y.T., Chu J.H., Xu X., Ataei S.S., Varsano D., Palummo M., Molinari E., Rontani M., Cobden D.H.; Nature Physics (18); 94-99 (2022) 10.1038/s41567-021-01427-5

  • Improved electronic structure prediction of chalcopyrite semiconductors from a semilocal density functional based on Pauli kinetic energy enhancement factor; Ghosh A., Jana S., Niranjan M.K., Behera S.K., Constantin L.A., Samal P.; Journal of Physics Condensed Matter (34); 075501 (2022) 10.1088/1361-648X/ac394d

  • Acute cytotoxicity of mineral fibres observed by time-lapse video microscopy; Di Giuseppe D., Scarfì S., Alessandrini A., Bassi A.M., Mirata S., Almonti V., Ragazzini G., Mescola A., Filaferro M., Avallone R., Vitale G., Scognamiglio V., Gualtieri A.F.; Toxicology (466); 153081 (2022) 10.1016/j.tox.2021.153081

  • Multifunctional Switch Based on Spin-Labeled Gold Nanoparticles; Lloveras V., Elías-Rodríguez P., Bursi L., Shirdel E., Goñi A.R., Calzolari A., Vidal-Gancedo J.; Nano Letters (22); 768-774 (2022) 10.1021/acs.nanolett.1c04294

  • A Time-Course Study on a Food Contact Material (FCM)-Certified Coating Based on Titanium Oxide Deposited onto Aluminum; Di Cerbo A., Mescola A., Rosace G., Trovato V., Canton R., Iseppi R., Stocchi R., Ghazanfar S., Rea S., Loschi A.R., Sabia C.; Biology (11); 97 (2022) 10.3390/biology11010097

  • Magnetic behavior in metal-free radical thin films; Junghoefer T., Calzolari A., Baev I., Glaser M., Ciccullo F., Giangrisostomi E., Ovsyannikov R., Kielgast F., Nissen M., Schwarz J., Gallagher N.M., Rajca A., Martins M., Casu M.B.; Chem (8); 801-814 (2022) 10.1016/j.chempr.2021.11.021

  • Insight on Chirality Encoding from Small Thiolated Molecule to Plasmonic Au@Ag and Au@Au Nanoparticles; Carone A., Mariani P., Désert A., Romanelli M., Marcheselli J., Garavelli M., Corni S., Rivalta I., Parola S.; ACS Nano (16); 1089-1101 (2022) 10.1021/acsnano.1c08824

  • Atomistic Simulations of Functionalized Nano-Materials for Biosensors Applications; Dutta S., Corni S., Brancolini G.; International Journal of Molecular Sciences (23); 1484 (2022) 10.3390/ijms23031484

  • Theoretical and practical aspects of the design and production of synthetic holograms for transmission electron microscopy; Rosi P., Venturi F., Medici G., Menozzi C., Gazzadi G.C., Rotunno E., Frabboni S., Balboni R., Rezaee M., Tavabi A.H., Dunin-Borkowski R.E., Karimi E., Grillo V.; Journal of Applied Physics (131); 031101 (2022) 10.1063/5.0067528

  • Chemical characterization of non-psychoactive Cannabis sativa L. extracts, in vitro antiproliferative activity and induction of apoptosis in chronic myelogenous leukaemia cancer cells; Anceschi L., Codeluppi A., Brighenti V., Tassinari R., Taglioli V., Marchetti L., Roncati L., Alessandrini A., Corsi L., Pellati F.; Phytotherapy Research (36); 914-927 (2022) 10.1002/ptr.7357

  • Adhesion, mobility and aggregation of nanoclusters at surfaces: Ni and Ag on Si, HOPG and graphene; D’Addato S., Perricone F., Paolicelli G.; SN Applied Sciences (4); 65 (2022) 10.1007/s42452-022-04944-x

  • A general statistical mechanical model for fluid system thermodynamics: Application to sub- and super-critical water; Zanetti-Polzi L., Daidone I., Amadei A.; Journal of Chemical Physics (156); 044506 (2022) 10.1063/5.0079206

  • Doping-Dependent Optical Response of a Hybrid Transparent Conductive Oxide/Plasmonic Medium; Sygletou M., Benedetti S., Di Bona A., Canepa M., Bisio F.; Journal of Physical Chemistry C (126); 1881-1889 (2022) 10.1021/acs.jpcc.1c07567

  • High affinity protein surface binding through co-engineering of nanoparticles and proteins; Ray M., Brancolini G., Luther D.C., Jiang Z., Cao-Milán R., Cuadros A.M., Burden A., Clark V., Rana S., Mout R., Landis R.F., Corni S., Rotello V.M.; Nanoscale (14); 2411-2418 (2022) 10.1039/d1nr07497k

  • Role of Ionic Strength in the Formation of Stable Supramolecular Nanoparticle–Protein Conjugates for Biosensing; Brancolini G., Rotello V.M., Corni S.; International Journal of Molecular Sciences (23); 2368 (2022) 10.3390/ijms23042368

  • Kinetic Energy Density Functionals Based on a Generalized Screened Coulomb Potential: Linear Response and Future Perspectives; Fabiano E., Sarcinella F., Constantin L.A., Sala F.D.; Computation (10); 30 (2022) 10.3390/computation10020030

  • The robustness of the photosynthetic system i energy transfer complex network to targeted node attack and random node failure; Bellingeri M., Montepietra D., Cassi D., Scotognella F.; Journal of Complex Networks (10); cnab050 (2022) 10.1093/comnet/cnab050

  • 3d Metal Doping of Core@Shell Wüstite@ferrite Nanoparticles as a Promising Route toward Room Temperature Exchange Bias Magnets; Muzzi B., Albino M., Petrecca M., Innocenti C., Fernández C.d.J., Bertoni G., Marquina C., Ibarra M.R., Sangregorio C.; Small (18); 2107426 (2022) 10.1002/smll.202107426

  • Quasi-1D Electronic Transport in a 2D Magnetic Semiconductor; Wu F., Gutiérrez-Lezama I., López-Paz S.A., Gibertini M., Watanabe K., Taniguchi T., von Rohr F.O., Ubrig N., Morpurgo A.F.; Advanced Materials (34); 2109759 (2022) 10.1002/adma.202109759

  • Room-temperature optically detected magnetic resonance of triplet excitons in a pentacene-doped picene single crystal; Moro F., Moret M., Ghirri A., Granados del Águila A., Kubozono Y., Beverina L., Cassinese A.; Journal of Materials Research (37); 1269-1279 (2022) 10.1557/s43578-022-00536-y

  • Investigation of the structural and electronic differences between silver and copper doped ceria using the density functional theory; Righi G., Benedetti S., Magri R.; Journal of Physics Condensed Matter (34); 204010 (2022) 10.1088/1361-648X/ac58d9

  • Low- and high-density forms of liquid water revealed by a new medium-range order descriptor; Faccio C., Benzi M., Zanetti-Polzi L., Daidone I.; Journal of Molecular Liquids (355); 118922 (2022) 10.1016/j.molliq.2022.118922

  • A one-dimensional parameter-free model for carcinogenesis in gene expression space; Herrero R., Leon D.A., Gonzalez A.; Scientific Reports (12); 4748 (2022) 10.1038/s41598-022-08502-8

  • Forward emission of positronium from nanochanneled silicon membranes; Mariazzi S., Rienäcker B., Magrin Maffei R., Povolo L., Sharma S., Caravita R., Penasa L., Bettotti P., Doser M., Brusa R.S.; Physical Review B (105); 115422 (2022) 10.1103/PhysRevB.105.115422

  • Excitonic effects in graphene-like C3 N; Bonacci M., Zanfrognini M., Molinari E., Ruini A., Caldas M.J., Ferretti A., Varsano D.; Physical Review Materials (6); 034009 (2022) 10.1103/PhysRevMaterials.6.034009

  • Gap Opening in Double-Sided Highly Hydrogenated Free-Standing Graphene; Betti M.G., Placidi E., Izzo C., Blundo E., Polimeni A., Sbroscia M., Avila J., Dudin P., Hu K., Ito Y., Prezzi D., Bonacci M., Molinari E., Mariani C.; Nano Letters (22); 2971-2977 (2022) 10.1021/acs.nanolett.2c00162

  • Band structure modulation by methoxy-functionalization of graphene nanoribbons; Götz A., Wang X.Y., Ruini A., Zheng W., Soltani P., Graf R., Tries A., Li J., Palma C.A., Molinari E., Hansen M.R., Wang H.I., Prezzi D., Müllen K., Narita A.; Journal of Materials Chemistry C (10); 4173-4181 (2022) 10.1039/d1tc05695f

  • BELLO: A post-processing tool for the local-order analysis of disordered systems; Dianat B., Tavanti F., Padovani A., Larcher L., Calzolari A.; Computational Materials Science (209); 111381 (2022) 10.1016/j.commatsci.2022.111381

  • High-Spin (S = 1) Blatter-Based Diradical with Robust Stability and Electrical Conductivity; Zhang S., Pink M., Junghoefer T., Zhao W., Hsu S.N., Rajca S., Calzolari A., Boudouris B.W., Casu M.B., Rajca A.; Journal of the American Chemical Society (144); 6059-6070 (2022) 10.1021/jacs.2c01141

  • Ultrafast Photoacoustic Nanometrology of InAs Nanowires Mechanical Properties; Gandolfi M., Peli S., Diego M., Danesi S., Giannetti C., Alessandri I., Zannier V., Demontis V., Rocci M., Beltram F., Sorba L., Roddaro S., Rossella F., Banfi F.; Journal of Physical Chemistry C (126); 6361-6372 (2022) 10.1021/acs.jpcc.2c01060

  • Unified Green's function approach for spectral and thermodynamic properties from algorithmic inversion of dynamical potentials; Chiarotti T., Marzari N., Ferretti A.; Physical Review Research (4); A187 (2022) 10.1103/PhysRevResearch.4.013242

  • Twist-resilient and robust ferroelectric quantum spin Hall insulators driven by van der Waals interactions; Marrazzo A., Gibertini M.; npj 2D Materials and Applications (6); 30 (2022) 10.1038/s41699-022-00305-9

  • Particle swarm optimization of GaAs-AlGaAS nanowire photonic crystals as two-dimensional diffraction gratings for light trapping; Zagaglia L., Demontis V., Rossella F., Floris F.; Nano Express (3); 021001 (2022) 10.1088/2632-959X/ac61ec

  • Cytochalasin B Modulates Nanomechanical Patterning and Fate in Human Adipose-Derived Stem Cells; Bianconi E., Tassinari R., Alessandrini A., Ragazzini G., Cavallini C., Abruzzo P.M., Petrocelli G., Pampanella L., Casadei R., Maioli M., Canaider S., Facchin F., Ventura C.; Cells (11); 1629 (2022) 10.3390/cells11101629

  • Machine learning in scanning transmission electron microscopy; Kalinin S.V., Ophus C., Voyles P.M., Erni R., Kepaptsoglou D., Grillo V., Lupini A.R., Oxley M.P., Schwenker E., Chan M.K.Y., Etheridge J., Li X., Han G.G.D., Ziatdinov M., Shibata N., Pennycook S.J.; Nature Reviews Methods Primers (2); 11 (2022) 10.1038/s43586-022-00095-w

  • Anomalous screening in narrow-gap carbon nanotubes; Sesti G., Varsano D., Molinari E., Rontani M.; Physical Review B (105); 195404 (2022) 10.1103/PhysRevB.105.195404

  • Pre-treatment of Selective Laser Melting (SLM) surfaces for thermal spray coating; Bolelli G., Bonilauri M.F., Sassatelli P., Bruno F., Franci R., Pulci G., Marra F., Paglia L., Gazzadi G.C., Frabboni S., Lusvarghi L.; Surface and Coatings Technology (441); 128533 (2022) 10.1016/j.surfcoat.2022.128533

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  • Excitons under strain: Light absorption and emission in strained hexagonal boron nitride; Lechifflart P., Paleari F., Attaccalite C.; SciPost Physics (12); 145 (2022) 10.21468/SciPostPhys.12.5.145

  • Evidence for a high pK a of an aspartic acid residue in the active site of CALB by a fully atomistic multiscale approach; Capone M., Zanetti-Polzi L., Leonzi I., Spreti N., Daidone I.; Journal of Biomolecular Structure and Dynamics (2022) 10.1080/07391102.2022.2077834

  • BENZOTHIADIAZINES DERIVATIVES AS NOVEL ALLOSTERIC MODULATORS OF KAINIC ACID RECEPTORS; Puja G., Ravazzini F., Losi G., Bardoni R., Battisti U.M., Citti C., Cannazza G.; Journal of Physiology and Pharmacology (73); (2022) 10.26402/jpp.2022.1.02

  • Numerically Precise Benchmark of Many-Body Self-Energies on Spherical Atoms; Vacondio S., Varsano D., Ruini A., Ferretti A.; Journal of Chemical Theory and Computation (18); 3703-3717 (2022) 10.1021/acs.jctc.2c00048

  • Asymmetric supercapacitors based on nickel decorated graphene and porous graphene electrodes; Morenghi A., Scaravonati S., Magnani G., Sidoli M., Aversa L., Verucchi R., Bertoni G., Riccò M., Pontiroli D.; Electrochimica Acta (424); 140626 (2022) 10.1016/j.electacta.2022.140626

  • Magnetic phase diagram of the austenitic Mn-rich Ni-Mn-(In, Sn) Heusler alloys; Bonfà P., Chicco S., Cugini F., Sharma S., Dewhurst J.K., Allodi G.; Electronic Structure (4); 024002 (2022) 10.1088/2516-1075/ac5fbd

  • Inverted Conformation Stability of a Motor Molecule on a Metal Surface; Schied M., Prezzi D., Liu D., Jacobson P., Corni S., Tour J.M., Grill L.; Journal of Physical Chemistry C (126); 9034-9040 (2022) 10.1021/acs.jpcc.2c00406

  • Tunable optical anisotropy in epitaxial phase-change VO2thin films; John J., Slassi A., Sun J., Sun Y., Bachelet R., Pénuelas J., Saint-Girons G., Orobtchouk R., Ramanathan S., Calzolari A., Cueff S.; Nanophotonics (11); 3913-3922 (2022) 10.1515/nanoph-2022-0153

  • Band structure of n - And p -doped core-shell nanowires; Vezzosi A., Bertoni A., Goldoni G.; Physical Review B (105); 245303 (2022) 10.1103/PhysRevB.105.245303

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  • Modelling Studies of Magnetostatic Modes in Hybrid MW-YIG Structures; Maksutoglu M., Ghirri A., Yorulmaz S.C., Yildiz F., Affronte M., Rameev B.; Progress in Electromagnetics Research Symposium (2022-April); 99-102 (2022) 10.1109/PIERS55526.2022.9792963

  • Insight into the inclusion of heteroatom impurities in silicon structures; Maji R., Luppi E., Degoli E., Contreras-García J.; Physical Chemistry Chemical Physics (24); 15588-15602 (2022) 10.1039/d2cp01493a

  • Graphene decoupling through oxygen intercalation on Gr/Co and Gr/Co/Ir interfaces; Leon D.A., Ferretti A., Varsano D., Molinari E., Cardoso C.; Physical Review Materials (6); 064004 (2022) 10.1103/PhysRevMaterials.6.064004

  • Morphology and Optical Properties of Gas-Phase-Synthesized Plasmonic Nanoparticles: Cu and Cu/MgO; D’Addato S., Lanza M., Boiani A., Spurio E., Pelatti S., Paolicelli G., Luches P.; Materials (15); 4429 (2022) 10.3390/ma15134429

  • A supramolecular non centrosymmetric 2,6-diaminopyridinium perchlorate salt: Crystal structure and optoelectronic DFT study; Bouaziz E., Kammoun O., Slassi A., Cornil D., Lhoste J., Auguste S., Boujelbene M.; Journal of Molecular Structure (1267); 133561 (2022) 10.1016/j.molstruc.2022.133561

  • Disclosing the Microscopic Picture: An Interdisciplinary Investigation of Friction and Wetting Using a Gecko-Inspired Tape; Scorzoni C., Goldoni G., Rota A., De Renzi V.; Journal of Chemical Education (99); 2520-2529 (2022) 10.1021/acs.jchemed.1c01175

  • Amphiphilic Gold Nanoparticles: A Biomimetic Tool to Gain Mechanistic Insights into Peptide-Lipid Interactions; Canepa E., Relini A., Bochicchio D., Lavagna E., Mescola A.; Membranes (12); 673 (2022) 10.3390/membranes12070673

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  • Loading with Biomolecules Modulates the Antioxidant Activity of Cerium-Doped Bioactive Glasses; Lusvardi G., Fraulini F., D'addato S., Zambon A.; ACS Biomaterials Science and Engineering (8); 2890-2898 (2022) 10.1021/acsbiomaterials.2c00283

  • Solid-state performance of a meta-GGA screened hybrid density functional constructed from Pauli kinetic enhancement factor dependent semilocal exchange hole; Jana S., Constantin L.A., Śmiga S., Samal P.; Journal of Chemical Physics (157); 024102 (2022) 10.1063/5.0096674

  • Slow Magnetic Relaxation of Dy Adatoms with In-Plane Magnetic Anisotropy on a Two-Dimensional Electron Gas; Bellini V., Rusponi S., Kolorenč J., Mahatha S.K., Valbuena M.A., Persichetti L., Pivetta M., Sorokin B.V., Merk D., Reynaud S., Sblendorio D., Stepanow S., Nistor C., Gargiani P., Betto D., Mugarza A., Gambardella P., Brune H., Carbone C., Barla A.; ACS Nano (16); 11182-11193 (2022) 10.1021/acsnano.2c04048

  • Lifetime of Photogenerated Positive Charges in Hybrid Cerium Oxide-Based Materials from Space and Mirror Charge Effects in Time-Resolved Photoemission Spectroscopy; Pelli Cresi J.S., Spurio E., Di Mario L., O'Keeffe P., Turchini S., Benedetti S., Pierantozzi G.M., De Vita A., Cucini R., Catone D., Luches P.; Journal of Physical Chemistry C (126); 11174-11181 (2022) 10.1021/acs.jpcc.2c02148

  • Vibrational response functions for multidimensional electronic spectroscopy in the adiabatic regime: A coherent-state approach; Quintela Rodriguez F.E., Troiani F.; Journal of Chemical Physics (157); 034107 (2022) 10.1063/5.0094512

  • Liquid flow in scaffold derived from natural source: Experimental observations and biological outcome; Salerno E., Orlandi G., Ongaro C., D'Adamo A., Ruffini A., Carnevale G., Zardin B., Bertacchini J., Angeli D.; Regenerative Biomaterials (9); rbac034 (2022) 10.1093/rb/rbac034

  • Multi-technique Approach to Unravel the (Dis)order in Amorphous Materials; Tavanti F., Calzolari A.; ACS Omega (7); 23255-23264 (2022) 10.1021/acsomega.2c01359

  • Acidic pH Promotes Refolding and Macroscopic Assembly of Amyloid β (16-22) Peptides at the Air-Water Interface; Lu H., Bellucci L., Sun S., Qi D., Rosa M., Berger R., Corni S., Bonn M.; Journal of Physical Chemistry Letters (13); 6674-6679 (2022) 10.1021/acs.jpclett.2c01171

  • The potential of AFM in studying the role of the nanoscale amphipathic nature of (lipo)-peptides interacting with lipid bilayers; Mescola A., Ragazzini G., Facci P., Alessandrini A.; Nanotechnology (33); 432001 (2022) 10.1088/1361-6528/ac80c9

  • Quenching the bandgap of two-dimensional semiconductors with a perpendicular electric field; Domaretskiy D., Philippi M., Gibertini M., Ubrig N., Gutiérrez-Lezama I., Morpurgo A.F.; Nature Nanotechnology (17); 1078-1083 (2022) 10.1038/s41565-022-01183-4

  • Excitations of Quantum Many-Body Systems via Purified Ensembles: A Unitary-Coupled-Cluster-Based Approach; Benavides-Riveros C.L., Chen L., Schilling C., Mantilla S., Pittalis S.; Physical Review Letters (129); 066401 (2022) 10.1103/PhysRevLett.129.066401

  • Ultra-strong coupling in the hybrid quantum system consisting of planar MW resonator and YIG material; Maksutoğlu M., Ghirri A., Bonizzoni C., Çınar K., Yorulmaz S., Yıldız F., Affronte M., Rameev B.; Optics InfoBase Conference Papers QW2A.19 (2022)

  • Revealing the role of ς3{112} Si grain boundary local structures in impurity segregation; Maji R., Luppi E., Degoli E.; Journal of Applied Physics (132); 085102 (2022) 10.1063/5.0100742

  • Giant reduction of thermal conductivity and enhancement of thermoelectric performance in twinning superlattice InAsSb nanowires; Peri L., Prete D., Demontis V., Zannier V., Rossi F., Sorba L., Beltram F., Rossella F.; Nano Energy (103); 107700 (2022) 10.1016/j.nanoen.2022.107700

  • Perturbed graphs achieve unit transport efficiency without environmental noise; Cavazzoni S., Razzoli L., Bordone P., Paris M.G.A.; Physical Review E (106); 024118 (2022) 10.1103/PhysRevE.106.024118

  • Polarization Control in Integrated Silicon Waveguides Using Semiconductor Nanowires; Kaplan A.E., Vitali V., Demontis V., Rossella F., Fontana A., Cornia S., Petropoulos P., Bellani V., Lacava C., Cristiani I.; Nanomaterials (12); 2438 (2022) 10.3390/nano12142438

  • Correct and Accurate Polymorphic Energy Ordering of Transition-Metal Monoxides Obtained from Semilocal and Onsite-Hybrid Exchange-Correlation Approximations; Ghosh A., Jana S., Niranjan M.K., Tran F., Wimberger D., Blaha P., Constantin L.A., Samal P.; Journal of Physical Chemistry C (126); 14650-14660 (2022) 10.1021/acs.jpcc.2c03517

  • Do We Really Need Quantum Mechanics to Describe Plasmonic Properties of Metal Nanostructures?; Giovannini T., Bonatti L., Lafiosca P., Nicoli L., Castagnola M., Illobre P.G., Corni S., Cappelli C.; ACS Photonics (9); 3025-3034 (2022) 10.1021/acsphotonics.2c00761

  • Exciton-phonon interaction calls for a revision of the "exciton" concept; Paleari F., Marini A.; Physical Review B (106); 125403 (2022) 10.1103/PhysRevB.106.125403

  • Evidence of Orientation-Dependent Early States of Prion Protein Misfolded Structures from Single Molecule Force Spectroscopy; Raspadori A., Vignali V., Murello A., Giachin G., Samorì B., Tanaka M., Bustamante C., Zuccheri G., Legname G.; Biology (11); 1358 (2022) 10.3390/biology11091358

  • Unveiling Vibronic Coupling within the Q-bands of a Freebase Porphyrin; Petropoulos V., Russo M., Rukin P., Quintela F., Moretti L., Moore A., Moore T., Gust D., Prezzi D., Scholes G., Molinari E., Troiani F., Cerullo G., Rozzi C., Maiuri M.; Optics InfoBase Conference Papers (2022)

  • Attosecond Inter- and Intra-Band Charge Carrier Dynamics in Germanium; Inzani G., Adamska L., D’Onofrio L.J., Moio B., Dolso G.L., Di Palo N., Eskandari-Asl A., Lamperti A., Molle A., Rozzi C.A., Borrego-Varillas R., Nisoli M., Pittalis S., Avella A., Lucchini M.; Optics InfoBase Conference Papers (2022)

  • Efficient and improved prediction of the band offsets at semiconductor heterojunctions from meta-GGA density functionals: A benchmark study; Ghosh A., Jana S., Rauch T., Tran F., Marques M.A.L., Botti S., Constantin L.A., Niranjan M.K., Samal P.; Journal of Chemical Physics (157); 124108 (2022) 10.1063/5.0111693

  • Aggregation behavior of nanoparticles: Revisiting the phase diagram of colloids; Bini M., Brancolini G., Tozzini V.; Frontiers in Molecular Biosciences (9); 986223 (2022) 10.3389/fmolb.2022.986223

  • Ultrafast Transverse Modulation of Free Electrons by Interaction with Shaped Optical Fields; Madan I., Leccese V., Mazur A., Barantani F., Lagrange T., Sapozhnik A., Tengdin P.M., Gargiulo S., Rotunno E., Olaya J.C., Kaminer I., Grillo V., De Abajo F.J.G., Carbone F., Vanacore G.M.; ACS Photonics (9); 3215-3224 (2022) 10.1021/acsphotonics.2c00850

  • Hardening of Cobalt Ferrite Nanoparticles by Local Crystal Strain Release: Implications for Rare Earth Free Magnets; Muzzi B., Lottini E., Yaacoub N., Peddis D., Bertoni G., De Julián Fernández C., Sangregorio C., López-Ortega A.; ACS Applied Nano Materials (5); 14871-14881 (2022) 10.1021/acsanm.2c03161

  • Plasmonic high-entropy carbides; Calzolari A., Oses C., Toher C., Esters M., Campilongo X., Stepanoff S.P., Wolfe D.E., Curtarolo S.; Nature Communications (13); 5993 (2022) 10.1038/s41467-022-33497-1

  • Time-dependent transport in graphene Mach-Zender interferometers; Forghieri G., Bordone P., Bertoni A.; Physical Review B (106); 165402 (2022) 10.1103/PhysRevB.106.165402

  • Corrigendum: GABA tonic currents and glial cells are altered during epileptogenesis in a mouse model of Dravet syndrome, (Front. Cell. Neurosci, (2022), 16, (919493), 10.3389/fncel.2022.919493); Goisis R.C., Chiavegato A., Gomez-Gonzalo M., Marcon I., Requie L.M., Scholze P., Carmignoto G., Losi G.; Frontiers in Cellular Neuroscience (16); 1066985 (2022) 10.3389/fncel.2022.1066985

  • Origins of the pH-Responsive Photoluminescence of Peptide-Functionalized Au Nanoclusters; Zanetti-Polzi L., Charchar P., Yarovsky I., Corni S.; ACS Nano (16); 20129-20140 (2022) 10.1021/acsnano.2c04335

  • Quantum Simulation of Molecules in Solution; Castaldo D., Jahangiri S., Delgado A., Corni S.; Journal of Chemical Theory and Computation (18); 7457-7469 (2022) 10.1021/acs.jctc.2c00974

  • Astrocytes mediate long-lasting synaptic regulation of ventral tegmental area dopamine neurons; Requie L.M., Gómez-Gonzalo M., Speggiorin M., Managò F., Melone M., Congiu M., Chiavegato A., Lia A., Zonta M., Losi G., Henriques V.J., Pugliese A., Pacinelli G., Marsicano G., Papaleo F., Muntoni A.L., Conti F., Carmignoto G.; Nature Neuroscience (25); 1639-1650 (2022) 10.1038/s41593-022-01193-4

  • Ab initio nonlinear optics in solids: linear electro-optic effect and electric-field induced second-harmonic generation; Prussel L., Maji R., Degoli E., Luppi E., Véniard V.; European Physical Journal: Special Topics (2022) 10.1140/epjs/s11734-022-00677-5

  • Combining enhanced sampling and deep learning dimensionality reduction for the study of the heat shock protein B8 and its pathological mutant K141E; Montepietra D., Cecconi C., Brancolini G.; RSC Advances (12); 31996-32011 (2022) 10.1039/d2ra04913a

  • Tuning gold-based surface functionalization for streptavidin detection: A combined simulative and experimental study; Dutta S., Gagliardi M., Bellucci L., Agostini M., Corni S., Cecchini M., Brancolini G.; Frontiers in Molecular Biosciences (9); 1006525 (2022) 10.3389/fmolb.2022.1006525

  • Polarization Control in Integrated Graphene-Silicon Quantum Photonics Waveguides; Cammarata S., Fontana A., Kaplan A.E., Cornia S., Dao T.H., Lacava C., Demontis V., Iadanza S., Vitali V., De Matteis F., Pedreschi E., Magazzù G., Toncelli A., Spinella F., Saponara S., Gunnella R., Rossella F., Salamon A., Bellani V.; Materials (15); 8739 (2022) 10.3390/ma15248739

  • Graphite/epoxy composite for building Bipolar Plates; Spinelli L., Roncaglia F., Biagi R., di Bona A., Romagnoli M., Mucci A.; E3S Web of Conferences (334); 04010 (2022) 10.1051/e3sconf/202233404010

  • Comparison of long-range corrected kernels and range-separated hybrids for excitons in solids; Maji R., Degoli E., Calatayud M., Véniard V., Luppi E.; Physical Review B (106); 235158 (2022) 10.1103/PhysRevB.106.235158

  • In-Operando Optical Spectroscopy of Field-Effect-Gated Al-Doped ZnO; Sygletou M., Benedetti S., Di Bona A., Canepa M., Bisio F., Bellingeri E.; ACS Applied Materials and Interfaces (2022) 10.1021/acsami.2c16668

  • Machine-Learning-Assisted Manipulation and Readout of Molecular Spin Qubits; Bonizzoni C., Tincani M., Santanni F., Affronte M.; Physical Review Applied (18); 064074 (2022) 10.1103/PhysRevApplied.18.064074

  • Band offset engineering at C2N/MSe2 (M ¼ Mo, W) interfaces†; Slassi A.; RSC Advances (12); 12068-12077 (2022) 10.1039/d2ra00847e

  • Intrinsic Control of Interlayer Exciton Generation in Van der Waals Materials via Janus Layers; Torun E., Paleari F., Milošević M.V., Wirtz L., Sevik C.; Nano Letters (2022) 10.1021/acs.nanolett.2c04724

  • Modulation of NMDA receptor activity by CR4056, an imidazoline-2 receptor ligand with analgesic properties; Puja G., Losi G., Rovati L., Lanza M., Caselli G., Bardoni R.; Frontiers in Pain Research (3); 1003068 (2022) 10.3389/fpain.2022.1003068

  • The role of substrate materials on stabilization of CdO, 2CdO·CdSO4 and 2CdS·2CdO·CdSO4 from CdS powder film annealed in air; Casotti D., Gaiardo A., Valt M., Fabbri B., Cruciani G., Guidi V.; Materials Chemistry and Physics (257); 123251 (2021) 10.1016/j.matchemphys.2020.123251

  • Intermolecular conical intersections in molecular aggregates; De Sio A., Sommer E., Nguyen X.T., Groß L., Popović D., Nebgen B.T., Fernandez-Alberti S., Pittalis S., Rozzi C.A., Molinari E., Mena-Osteritz E., Bäuerle P., Frauenheim T., Tretiak S., Lienau C.; Nature Nanotechnology (16); 63-68 (2021) 10.1038/s41565-020-00791-2

  • Graphite-epoxy composites for fuel-cell bipolar plates: Wet vs dry mixing and role of the design of experiment in the optimization of molding parameters; Roncaglia F., Romagnoli M., Incudini S., Santini E., Imperato M., Spinelli L., di Bona A., Biagi R., Mucci A.; International Journal of Hydrogen Energy (46); 4407-4416 (2021) 10.1016/j.ijhydene.2020.10.272

  • Understanding the origin of magneto-crystalline anisotropy in pure and Fe/Si substituted SmCo5; Chouhan R.K., Pathak A.K., Paudyal D.; Journal of Magnetism and Magnetic Materials (522); 167549 (2021) 10.1016/j.jmmm.2020.167549

  • Ab initio study of oxygen segregation in silicon grain boundaries: The role of strain and vacancies; Maji R., Luppi E., Capron N., Degoli E.; Acta Materialia (204); 116477 (2021) 10.1016/j.actamat.2020.11.019

  • Atomistic simulations of gold surface functionalization for nanoscale biosensors applications; Dutta S., Bellucci L., Agostini M., Gagliardi M., Corni S., Cecchini M., Brancolini G.; Nanotechnology (32); 095702 (2021)