Publications S3-NANO | CNR Istituto Nanoscienze

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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

A fit-less approach to the elasticity of the handles in optical tweezers experiments; Mossa A., Cecconi C.; European Biophysics Journal (51); 413-418 (2022) 10.1007/s00249-022-01603-2

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

Universality of the fully connected vertex in Laplacian continuous-time quantum walk problems; Razzoli L., Bordone P., Paris M.G.A.; Journal of Physics A: Mathematical and Theoretical (55); 265303 (2022) 10.1088/1751-8121/ac72d5

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

Estimating the number of available states for normal and tumor tissues in gene expression space; Gonzalez A., Quintela F., Leon D.A., Bringas-Vega M.L., Valdes-Sosa P.A.; Biophysical Reports (2); 100053 (2022) 10.1016/j.bpr.2022.100053

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

Challenging Point Scanning across Electron Microscopy and Optical Imaging using Computational Imaging; Kallepalli A., Viani L., Stellinga D., Rotunno E., Bowman R., Gibson G.M., Sun M.J., Rosi P., Frabboni S., Balboni R., Migliori A., Grillo V., Padgett M.J.; Intelligent Computing (2022); 0001 (2022) 10.34133/icomputing.0001

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) 10.1088/1361-6528/abc6dc

Evaluating the use of graphene electrodes in sub-micrometric, high-frequency n-type organic transistors; Chianese F., Candini A., Lumetti S., Mishra N., Coletti C., Affronte M., Cassinese A.; Synthetic Metals (273); 116683 (2021) 10.1016/j.synthmet.2020.116683

Disclosing the interaction of gold nanoparticles with aβ(1–40) monomers through replica exchange molecular dynamics simulations; Tavanti F., Pedone A., Menziani M.C.; International Journal of Molecular Sciences (22); 1-12 26 (2021) 10.3390/ijms22010026

Transport efficiency of continuous-time quantum walks on graphs; Razzoli L., Paris M.G.A., Bordone P.; Entropy (23); 1-25 85 (2021) 10.3390/e23010085

Antibacterial effect of stainless steel surfaces treated with a nanotechnological coating approved for food contact; Di Cerbo A., Mescola A., Rosace G., Stocchi R., Rossi G., Alessandrini A., Preziuso S., Scarano A., Rea S., Loschi A.R., Sabia C.; Microorganisms (9); 1-18 248 (2021) 10.3390/microorganisms9020248

Reducing p-type Schottky contact barrier in metal/ZnO heterostructure through Ni-doping; El Haimeur A., Slassi A., Pershin A., Cornil D., Makha M., Blanco E., Dominguez M., Bakkali H.; Applied Surface Science (545); 149023 (2021) 10.1016/j.apsusc.2021.149023

Proline isomerization effects in the amyloidogenic protein β2-microglobulin; Maschio M.C., Fregoni J., Molteni C., Corni S.; Physical chemistry chemical physics : PCCP (23); 356-367 (2021) 10.1039/d0cp04780e

Magnetic response and electronic states of well defined Graphene/Fe/Ir(111) heterostructure; Cardoso C., Avvisati G., Gargiani P., Sbroscia M., Jagadeesh M.S., Mariani C., Leon D.A., Varsano D., Ferretti A., Betti M.G.; Physical Review Materials (5); 014405 (2021) 10.1103/PhysRevMaterials.5.014405

Magnetic 3d adatoms on free-standing and Ni(111)-supported graphene; Ellinger F., Franchini C., Bellini V.; Physical Review Materials (5); 014406 (2021) 10.1103/PhysRevMaterials.5.014406

Impact of experimental parameters on cell–cell force spectroscopy signature; Oropesa-Nuñez R., Mescola A., Vassalli M., Canale C.; Sensors (Switzerland) (21); 1-11 1069 (2021) 10.3390/s21041069

Enhanced Osteogenic Differentiation of Human Bone Marrow-Derived Mesenchymal Stem Cells by a Hybrid Hydroxylapatite/Collagen Scaffold; Mazzoni E., Mazziotta C., Iaquinta M.R., Lanzillotti C., Fortini F., D’Agostino A., Trevisiol L., Nocini R., Barbanti-Brodano G., Mescola A., Alessandrini A., Tognon M., Martini F.; Frontiers in Cell and Developmental Biology (8); 610570 (2021) 10.3389/fcell.2020.610570

In situ decoration of laser-scribed graphene with TiO2 nanoparticles for scalable high-performance micro-supercapacitors; Fornasini L., Scaravonati S., Magnani G., Morenghi A., Sidoli M., Bersani D., Bertoni G., Aversa L., Verucchi R., Riccò M., Lottici P.P., Pontiroli D.; Carbon (176); 296-306 (2021) 10.1016/j.carbon.2021.01.129

Challenges in Controlled Thermal Deposition of Organic Diradicals; Junghoefer T., Gallagher N.M., Kolanji K., Giangrisostomi E., Ovsyannikov R., Chassé T., Baumgarten M., Rajca A., Calzolari A., Casu M.B.; Chemistry of Materials (33); 2019-2028 (2021) 10.1021/acs.chemmater.0c03880

Epigenetics and communication mechanisms in microglia activation with a view on technological approaches; Petralla S., De Chirico F., Miti A., Tartagni O., Massenzio F., Poeta E., Virgili M., Zuccheri G., Monti B.; Biomolecules (11); 1-29 306 (2021) 10.3390/biom11020306

High spatial and energy resolution electron energy loss spectroscopy of the magnetic and electric excitations in plasmonic nanorod oligomers; Pakeltis G., Rotunno E., Khorassani S., Garfinkel D.A., Collette R., West C.A., Retterer S.T., Idrobo J.C., Masiello D.J., Rack P.D.; Optics Express (29); 4661-4671 (2021) 10.1364/OE.416046

Quantum optimal control with quantum computers: A hybrid algorithm featuring machine learning optimization; Castaldo D., Rosa M., Corni S.; Physical Review A (103); 022613 (2021) 10.1103/PhysRevA.103.022613

Photoluminescence emission induced by localized states in halide-passivated colloidal two-dimensional WS2nanoflakes; Mastria R., Loiudice A., Vávra J., Nobile C., Scarfiello R., Cozzoli P.D., Kovtun A., Liscio A., Sestu N., Marongiu D., Quochi F., Buonsanti R., Saba M., Calzolari A., Rizzo A.; Journal of Materials Chemistry C (9); 2398-2407 (2021) 10.1039/d0tc05285j

Correct structural phase stability of fes2, tio2, and mno2 from a semilocal density functional; Patra B., Jana S., Constantin L.A., Samal P.; Journal of Physical Chemistry C (125); 4284-4291 (2021) 10.1021/acs.jpcc.0c11380

Anisotropy of the spin-orbit coupling driven by a magnetic field in InAs nanowires; Wójcik P., Bertoni A., Goldoni G.; Physical Review B (103); 085434 (2021) 10.1103/PhysRevB.103.085434

Experimental Demonstration of an Electrostatic Orbital Angular Momentum Sorter for Electron Beams; Tavabi A.H., Rosi P., Rotunno E., Roncaglia A., Belsito L., Frabboni S., Pozzi G., Gazzadi G.C., Lu P.H., Nijland R., Ghosh M., Tiemeijer P., Karimi E., Dunin-Borkowski R.E., Grillo V.; Physical Review Letters (126); 094802 (2021) 10.1103/PhysRevLett.126.094802

Hyperbolic Metamaterials with Extreme Mechanical Hardness; Calzolari A., Catellani A., Buongiorno Nardelli M., Fornari M.; Advanced Optical Materials (9); 2001904 (2021) 10.1002/adom.202001904

A Fully Integrated Arduino-Based System for the Application of Stretching Stimuli to Living Cells and Their Time-Lapse Observation: A Do-It-Yourself Biology Approach; Ragazzini G., Guerzoni J., Mescola A., Di Rosa D., Corsi L., Alessandrini A.; Annals of Biomedical Engineering (49); 2243-2259 (2021) 10.1007/s10439-021-02758-3

Narrowing of d bands of FeCo layers intercalated under graphene; Pacilè D., Cardoso C., Avvisati G., Vobornik I., Mariani C., Leon D.A., Bonfà P., Varsano D., Ferretti A., Betti M.G.; Applied Physics Letters (118); 121602 (2021) 10.1063/5.0047266

OBP-functionalized/hybrid superparamagnetic nanoparticles forCandida albicanstreatment; Riboni N., Spadini C., Cabassi C.S., Bianchi F., Grolli S., Conti V., Ramoni R., Casoli F., Nasi L., de Julián Fernández C., Luches P., Careri M.; RSC Advances (11); 11256-11265 (2021) 10.1039/d1ra01112j

Molecular dynamics simulations of a catalytic multivalent peptide–nanoparticle complex; Dutta S., Corni S., Brancolini G.; International Journal of Molecular Sciences (22); 3624 (2021) 10.3390/ijms22073624

Green Fabrication of (6,5)Carbon Nanotube/Protein Transistor Endowed with Specific Recognition; Berto M., Di Giosia M., Giordani M., Sensi M., Valle F., Alessandrini A., Menozzi C., Cantelli A., Gazzadi G.C., Zerbetto F., Calvaresi M., Biscarini F., Bortolotti C.A.; Advanced Electronic Materials (7); 2001114 (2021) 10.1002/aelm.202001114

Exploring the Spatial Features of Electronic Transitions in Molecular and Biomolecular Systems by Swift Electrons; Guido C.A., Rotunno E., Zanfrognini M., Corni S., Grillo V.; Journal of Chemical Theory and Computation (17); 2364-2373 (2021) 10.1021/acs.jctc.1c00045

Selective switching of multiple plexcitons in colloidal materials: Directing the energy flow at the nanoscale; Peruffo N., Gil G., Corni S., Mancin F., Collini E.; Nanoscale (13); 6005-6015 (2021) 10.1039/d1nr00775k

Nonlocal kinetic energy functionals in real space using a Yukawa-potential kernel: Properties, linear response, and model functionals; Sarcinella F., Fabiano E., Constantin L.A., Della Sala F.; Physical Review B (103); 155127 (2021) 10.1103/PhysRevB.103.155127

Study of the rate-determining step of Rh catalyzed CO2 reduction: Insight on the hydrogen assisted molecular dissociation; Vanzan M., Marsili M., Corni S.; Catalysts (11); 538 (2021) 10.3390/catal11050538

From folding to function: Complex macromolecular reactions unraveled one-by-one with optical tweezers; Heidarsson P.O., Cecconi C.; Essays in Biochemistry (65); 129-142 (2021) 10.1042/EBC20200024

Effects of Structural Dynamics on Charge Carrier Transfer in B-DNA: A Combined MD and RT-TDDFT Study; Mantela M., Morphis A., Lambropoulos K., Simserides C., Di Felice R.; Journal of Physical Chemistry B (125); 3986-4003 (2021) 10.1021/acs.jpcb.0c11489

Nonlinear light absorption in many-electron systems excited by an instantaneous electric field: a non-perturbative approach; Guandalini A., Cocchi C., Pittalis S., Ruini A., Rozzi C.A.; Physical Chemistry Chemical Physics (23); 10059-10069 (2021) 10.1039/d0cp04958a

Ab initio modeling and experimental investigation of Fe2 P by DFT and spin spectroscopies; Bonfà P., Isah M.M., Frandsen B.A., Gibson E.J., Brück E., Onuorah I.J., De Renzi R., Allodi G.; Physical Review Materials (5); 044411 (2021) 10.1103/PhysRevMaterials.5.044411

Tuning proton transfer thermodynamics in SARS-CoV-2 main protease: Implications for catalysis and inhibitor design; Zanetti-Polzi L., Smith M.D., Chipot C., Gumbart J.C., Lynch D.L., Pavlova A., Smith J.C., Daidone I.; Journal of Physical Chemistry Letters (12); 4195-4202 (2021) 10.1021/acs.jpclett.1c00425

Arbitrary conformal transformations of wave functions; Ruffato G., Rotunno E., Giberti L.M.C., Grillo V.; Physical Review Applied (15); 054028 (2021) 10.1103/PhysRevApplied.15.054028

Electronic-structure methods for materials design; Marzari N., Ferretti A., Wolverton C.; Nature Materials (20); 736-749 (2021) 10.1038/s41563-021-01013-3

Quantitative Ultrafast Electron-Temperature Dynamics in Photo-Excited Au Nanoparticles; Sygletou M., Benedetti S., Ferrera M., Pierantozzi G.M., Cucini R., Della Valle G., Carrara P., De Vita A., di Bona A., Torelli P., Catone D., Panaccione G., Canepa M., Bisio F.; Small (17); 2100050 (2021) 10.1002/smll.202100050

Effect of pressure on the properties of a NASICON Li1.3Al0.3Ti1.7(PO4)3nanofiber solid electrolyte; La Monaca A., Girard G., Savoie S., Demers H., Bertoni G., Krachkovskiy S., Marras S., Mugnaioli E., Gemmi M., Benetti D., Vijh A., Rosei F., Paolella A.; Journal of Materials Chemistry A (9); 13688-13696 (2021) 10.1039/d1ta01143j

Roadmap on bio-nano-photonics; Herkert E., Slesiona N., Recchia M.E., Deckert T., Garcia-Parajo M.F., Fantuzzi E.M., Pruccoli A., Ragupathy I.C., Gudavičius D., Rigneault H., Majer J., Zumbusch A., Munger E., Brasselet S., Jones A.T., Watson P., Boppart S.A., Singh V., Borkar S., Quintela Rodriguez F.E., Langbein W., Petropoulos V., van Hulst N.F., Maiuri M., Cerullo G., Brida D., Troiani F., Rozzi C.A., Molinari E., Vengris M., Borri P.; Journal of Optics (United Kingdom) (23); 073001 (2021) 10.1088/2040-8986/abff94

Ensemble Reduced Density Matrix Functional Theory for Excited States and Hierarchical Generalization of Pauli's Exclusion Principle; Schilling C., Pittalis S.; Physical Review Letters (127); 023001 (2021) 10.1103/PhysRevLett.127.023001

Black Phosphorus n-Type Doping by Cu: A Microscopic Surface Investigation; Kumar A., Telesio F., Prezzi D., Cardoso C., Catellani A., Forti S., Coletti C., Serrano−Ruiz M., Peruzzini M., Beltram F., Heun S.; Journal of Physical Chemistry C (125); 13477-13484 (2021) 10.1021/acs.jpcc.1c03531

Dielectric Engineering Boosts the Efficiency of Carbon Nanotube Photodiodes; Senger M.J., Kefayati A., Bertoni A., Perebeinos V., Minot E.D.; ACS Nano (15); 10472-10479 (2021) 10.1021/acsnano.1c02940

Transmission Spectroscopy of Molecular Spin Ensembles in the Dispersive Regime; Bonizzoni C., Ghirri A., Nakazawa S., Nishida S., Sato K., Takui T., Affronte M.; Advanced Quantum Technologies (4); 2100039 (2021) 10.1002/qute.202100039

Improving the applicability of the Pauli kinetic energy density based semilocal functional for solids; Jana S., Behera S.K., Śmiga S., Constantin L.A., Samal P.; New Journal of Physics (23); 063007 (2021) 10.1088/1367-2630/abfd4d

Accurate density functional made more versatile; Jana S., Behera S.K., Śmiga S., Constantin L.A., Samal P.; Journal of Chemical Physics (155); 024103 (2021) 10.1063/5.0051331

Alignment of electron optical beam shaping elements using a convolutional neural network; Rotunno E., Tavabi A.H., Rosi P., Frabboni S., Tiemeijer P., Dunin-Borkowski R.E., Grillo V.; Ultramicroscopy (228); 113338 (2021) 10.1016/j.ultramic.2021.113338

Focused ion beam fabrication of Janus bimetallic cylinders acting as drift tube Zernike phase plates for electron microscopy; Rosi P., Gazzadi G.C., Frabboni S., Grillo V., Tavabi A.H., Dunin-Borkowski R.E., Pozzi G.; Journal of Applied Physics (130); 024507 (2021) 10.1063/5.0050055

Interacting holes in Si and Ge double quantum dots: From a multiband approach to an effective-spin picture; Secchi A., Bellentani L., Bertoni A., Troiani F.; Physical Review B (104); 035302 (2021) 10.1103/PhysRevB.104.035302

The 2021 Magnonics Roadmap; Barman A., Gubbiotti G., Ladak S., Adeyeye A.O., Krawczyk M., Grafe J., Adelmann C., Cotofana S., Naeemi A., Vasyuchka V.I., Hillebrands B., Nikitov S.A., Yu H., Grundler D., Sadovnikov A.V., Grachev A.A., Sheshukova S.E., Duquesne J.Y., Marangolo M., Csaba G., Porod W., Demidov V.E., Urazhdin S., Demokritov S.O., Albisetti E., Petti D., Bertacco R., Schultheiss H., Kruglyak V.V., Poimanov V.D., Sahoo S., Sinha J., Yang H., Münzenberg M., Moriyama T., Mizukami S., Landeros P., Gallardo R.A., Carlotti G., Kim J.V., Stamps R.L., Camley R.E., Rana B., Otani Y., Yu W., Yu T., Bauer G.E.W., Back C., Uhrig G.S., Dobrovolskiy O.V., Budinska B., Qin H., Van Dijken S., Chumak A.V., Khitun A., Nikonov D.E., Young I.A., Zingsem B.W., Winklhofer M.; Journal of Physics Condensed Matter (33); 413001 (2021) 10.1088/1361-648X/abec1a

Multiple exciton generation in isolated and interacting silicon nanocrystals; Marri I., Ossicini S.; Nanoscale (13); 12119-12142 (2021) 10.1039/d1nr01747k

Strong Coupling between Localized Surface Plasmons and Molecules by Coupled Cluster Theory; Fregoni J., Haugland T.S., Pipolo S., Giovannini T., Koch H., Corni S.; Nano Letters (21); 6664-6670 (2021) 10.1021/acs.nanolett.1c02162

Role of topology in determining the precision of a finite thermometer; Candeloro A., Razzoli L., Bordone P., Paris M.G.A.; Physical Review E (104); 014136 (2021) 10.1103/PhysRevE.104.014136

Density functional approach to the band gaps of finite and periodic two-dimensional systems; Guandalini A., Ruini A., Räsänen E., Rozzi C.A., Pittalis S.; Physical Review B (104); 085110 (2021) 10.1103/PhysRevB.104.085110

Computational insight on the interaction of common blood proteins with gold nanoparticles; Tavanti F., Menziani M.C.; International Journal of Molecular Sciences (22); 8722 (2021) 10.3390/ijms22168722

Time-course study of the antibacterial activity of an amorphous SiOxCyHz coating certified for food contact; Di Cerbo A., Rosace G., Rea S., Stocchi R., Morales-Medina J.C., Canton R., Mescola A., Condò C., Loschi A.R., Sabia C.; Antibiotics (10); 901 (2021) 10.3390/antibiotics10080901

Gold nanoparticle assisted synthesis of MoS2monolayers by chemical vapor deposition; Seravalli L., Bosi M., Fiorenza P., Panasci S.E., Orsi D., Rotunno E., Cristofolini L., Rossi F., Giannazzo F., Fabbri F.; Nanoscale Advances (3); 4826-4833 (2021) 10.1039/d1na00367d

Surface nano-patterning for the bottom-up growth of iii-v semiconductor nanowire ordered arrays; Demontis V., Zannier V., Sorba L., Rossella F.; Nanomaterials (11); 2079 (2021) 10.3390/nano11082079

Double excitations in molecules from ensemble density functionals: Theory and approximations; Gould T., Kronik L., Pittalis S.; Physical Review A (104); 022803 (2021) 10.1103/PhysRevA.104.022803

Exploring the crystallization path of lithium disilicate through metadynamics simulations; Lodesani F., Tavanti F., Menziani M.C., Maeda K., Takato Y., Urata S., Pedone A.; Physical Review Materials (5); 075602 (2021) 10.1103/PhysRevMaterials.5.075602

From radical to triradical thin film processes: The Blatter radical derivatives; Calzolari A., Rajca A., Casu M.B.; Journal of Materials Chemistry C (9); 10787-10793 (2021) 10.1039/d1tc01541a

Lcao electronic structure of nucleic acid bases and other heterocycles and transfer integrals in b-dna, including structural variability; Mantela M., Simserides C., Di Felice R.; Materials (14); 4930 (2021) 10.3390/ma14174930

Single-particle cryo-EM: Alternative schemes to improve dose efficiency; Zhang Y., Lu P.H., Rotunno E., Troiani F., van Schayck J.P., Tavabi A.H., Dunin-Borkowski R.E., Grillo V., Peters P.J., Ravelli R.B.G.; Journal of Synchrotron Radiation (28); 1343-1356 (2021) 10.1107/S1600577521007931

Zno thin films growth optimization for piezoelectric application; Polewczyk V., Magrin Maffei R., Vinai G., Lo Cicero M., Prato S., Capaldo P., Dal Zilio S., Di Bona A., Paolicelli G., Mescola A., D’addato S., Torelli P., Benedetti S.; Sensors (21); 6114 (2021) 10.3390/s21186114

Segregation on the nanoscale coupled to liquid water polyamorphism in supercooled aqueous ionic-liquid solution; Zanetti-Polzi L., Amadei A., Daidone I.; Journal of Chemical Physics (155); 104502 (2021) 10.1063/5.0061659

Benchmark test of a dispersion corrected revised Tao-Mo semilocal functional for thermochemistry, kinetics, and noncovalent interactions of molecules and solids; Jana S., Myneni H., Śmiga S., Constantin L.A., Samal P.; Journal of Chemical Physics (155); 114102 (2021) 10.1063/5.0060538

Ag/mgo nanoparticles via gas aggregation nanocluster source for perovskite solar cell engineering; Caleffi M., Mariani P., Bertoni G., Paolicelli G., Pasquali L., Agresti A., Pescetelli S., Carlo A.D., De Renzi V., D’addato S.; Materials (14); 5507 (2021) 10.3390/ma14195507

Frequency dependence in made simple using a multipole approximation; Leon D.A., Cardoso C., Chiarotti T., Varsano D., Molinari E., Ferretti A.; Physical Review B (104); 115157 (2021) 10.1103/PhysRevB.104.115157

Time-Resolved Excited-State Analysis of Molecular Electron Dynamics by TDDFT and Bethe-Salpeter Equation Formalisms; Grobas Illobre P., Marsili M., Corni S., Stener M., Toffoli D., Coccia E.; Journal of Chemical Theory and Computation (17); 6314-6329 (2021) 10.1021/acs.jctc.1c00211

The role of selenium vacancies in the enhancement of electrocatalytic activity of CoNiSe2 for the oxygen evolution reaction; El Jaouhari A., Slassi A., Zhang B., Pershin A., Liu W., Cornil D., Liu X., Zhu J.; Journal of Power Sources (514); 230596 (2021) 10.1016/j.jpowsour.2021.230596

Measurement of multipole phases in optics and electron microscopy by means of conformal transformations; Ruffato G., Rotunno E., Grillo V.; Nuovo Cimento della Societa Italiana di Fisica C (44); 114 (2021) 10.1393/ncc/i2021-21114-6

Nonlocal exchange and correlation energy functionals using the Yukawa potential as ingredient: Application to the linear response of the uniform electron gas; Constantin L.A., Sarcinella F., Fabiano E., Della Sala F.; Physical Review B (104); 165114 (2021) 10.1103/PhysRevB.104.165114

Graphene Confers Ultralow Friction on Nanogear Cogs; Mescola A., Paolicelli G., Ogilvie S.P., Guarino R., McHugh J.G., Rota A., Iacob E., Gnecco E., Valeri S., Pugno N.M., Gadhamshetty V., Rahman M.M., Ajayan P., Dalton A.B., Tripathi M.; Small (17); 2104487 (2021) 10.1002/smll.202104487

A sorter for electrons based on magnetic elements; Pozzi G., Rosi P., Tavabi A.H., Karimi E., Dunin-Borkowski R.E., Grillo V.; Ultramicroscopy (231); 113287 (2021) 10.1016/j.ultramic.2021.113287

High-Throughput Investigation of the Electron Transport Properties in Si-GeAlloys; Adetunji B.I., Supka A., Fornari M., Calzolari A.; IEEE Access (9); 141121-141130 (2021) 10.1109/ACCESS.2021.3119898

Multipole-phase division multiplexing; Ruffato G., Grillo V., Romanato F.; Optics Express (29); 38095-38108 (2021) 10.1364/OE.438898

The role of Si vacancies in the segregation of O, C, and N at silicon grain boundaries: An ab initio study; Maji R., Contreras-García J., Capron N., Degoli E., Luppi E.; Journal of Chemical Physics (155); 174704 (2021) 10.1063/5.0067252

Inter- And intraband Coulomb interactions between holes in silicon nanostructures; Secchi A., Bellentani L., Bertoni A., Troiani F.; Physical Review B (104); 205409 (2021) 10.1103/PhysRevB.104.205409

Biogenic synthesis and characterization of antioxidant and antimicrobial silver nanoparticles using flower extract of couroupita guianensis aubl.; Singh R., Hano C., Tavanti F., Sharma B.; Materials (14); 6854 (2021) 10.3390/ma14226854

Magnetization dependent tunneling conductance of ferromagnetic barriers; Wang Z., Gutiérrez-Lezama I., Dumcenco D., Ubrig N., Taniguchi T., Watanabe K., Giannini E., Gibertini M., Morpurgo A.F.; Nature Communications (12); 6659 (2021) 10.1038/s41467-021-26973-7

Synthesis of electrospun NASICON Li1.5Al0.5Ge1.5(PO4)3 solid electrolyte nanofibers by control of germanium hydrolysis; la Monaca A., Girard G., Savoie S., Bertoni G., Krachkovskiy S., Vijh A., Pierini F., Rosei F., Paolella A.; Journal of the Electrochemical Society (168); A12 (2021) 10.1149/1945-7111/ac334a

Toward Hole-Spin Qubits in Si p -MOSFETs within a Planar CMOS Foundry Technology; Bellentani L., Bina M., Bonen S., Secchi A., Bertoni A., Voinigescu S.P., Padovani A., Larcher L., Troiani F.; Physical Review Applied (16); 054034 (2021) 10.1103/PhysRevApplied.16.054034

Quantum computing for classical problems: variational quantum eigensolver for activated processes; Pravatto P., Castaldo D., Gallina F., Fresch B., Corni S., Moro G.J.; New Journal of Physics (23); 123045 (2021) 10.1088/1367-2630/ac3ff9

The Gecko^® Approach to Friction: A Novel Teaching Learning Sequence; Scorzoni C., Goldoni G., De Renzi V.; Challenges in Physics Education 273-285 (2021) 10.1007/978-3-030-78720-2_19

Measuring the temperature of plasmonic systems in ultrafast pump-probe experiments; Sygletou M., Ferrera M., Valle G.D., Magnozzi M., Catone D., O’keeffe P., Paladini A., Toschi F., Benedetti S., Torelli P., Mattera L., Canepa M., Bisio F.; International Conference on Metamaterials, Photonic Crystals and Plasmonics 680-681 (2021)

Tribological response of laser-textured steel pins with low-dimensional micrometric patterns; Fiaschi G., Di Lauro M., Ballestrazzi A., Rota A., Biscarini F., Valeri S.; Tribology International (149); 105548 (2020) 10.1016/j.triboint.2019.01.007

Platinum carbonyl clusters decomposition on defective graphene surface; Gaboardi M., Tatti R., Bertoni G., Magnani G., Della Pergola R., Aversa L., Verucchi R., Pontiroli D., Riccò M.; Surface Science (691); 121499 (2020) 10.1016/j.susc.2019.121499

Monitoring water and oxygen splitting at graphene edges and folds: Insights into the lubricity of graphitic materials; Restuccia P., Ferrario M., Righi M.; Carbon (156); 93-103 (2020) 10.1016/j.carbon.2019.09.040

Design of electrostatic phase elements for sorting the orbital angular momentum of electrons; Pozzi G., Grillo V., Lu P.H., Tavabi A.H., Karimi E., Dunin-Borkowski R.E.; Ultramicroscopy (208); 112861 (2020) 10.1016/j.ultramic.2019.112861

Reduced cerium configurations in CeO2/Ag inverse catalysis; Righi G., Anderlini L., Magri R.; Materials Letters (261); 126935 (2020) 10.1016/j.matlet.2019.126935

Strong Coupling with Light Enhances the Photoisomerization Quantum Yield of Azobenzene; Fregoni J., Granucci G., Persico M., Corni S.; Chem (6); 250-265 (2020) 10.1016/j.chempr.2019.11.001

Extremely Efficient Photocurrent Generation in Carbon Nanotube Photodiodes Enabled by a Strong Axial Electric Field; Mcculley D.R., Senger M.J., Bertoni A., Perebeinos V., Minot E.D.; Nano Letters (20); 433-440 (2020) 10.1021/acs.nanolett.9b04151

Optical Properties of Lead-Free Double Perovskites by Ab Initio Excited-State Methods; Palummo M., Berrios E., Varsano D., Giorgi G.; ACS Energy Letters 457-463 (2020) 10.1021/acsenergylett.9b02593

Full-field mode sorter using two optimized phase transformations for high-dimensional quantum cryptography; Fickler R., Bouchard F., Giese E., Grillo V., Leuchs G., Karimi E.; Journal of Optics (United Kingdom) (22); 024001 (2020) 10.1088/2040-8986/ab6303

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Publications S3@NANO