Publications | CNR Istituto Nanoscienze

found 70 publications

Vibronic Coupling Drives the Ultrafast Internal Conversion in a Functionalized Free-Base Porphyrin; Petropoulos V., Rukin P.S., Quintela F., Russo M., Moretti L., Moore A., Moore T., Gust D., Prezzi D., Scholes G.D., Molinari E., Cerullo G., Troiani F., Rozzi C.A., Maiuri M.; Journal of Physical Chemistry Letters 4461-4467 (2024) 10.1021/acs.jpclett.4c00372

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

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

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

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

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

Distinguishing Different Stackings in Layered Materials via Luminescence Spectroscopy; Zanfrognini M., Plaud A., Stenger I., Fossard F., Sponza L., Schué L., Paleari F., Molinari E., Varsano D., Wirtz L., Ducastelle F., Loiseau A., Barjon J.; Physical review letters (131); 206902 (2023) 10.1103/PhysRevLett.131.206902

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

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 (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

Anomalous non-equilibrium response in black phosphorus to sub-gap mid-infrared excitation; Montanaro, A., Giusti, F., Zanfrognini, M., Di Pietro, P., Glerean, F., Jarc, G., Rigoni, E.M., Mathengattil, S.Y., Varsano, D., Rontani, M., Perucchi, A., Molinari, E., Fausti, D.; Nature communications (13); 1-7 (2022) 10.1038/s41467-022-30341-4

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

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

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)

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

Tracking the coherent generation of polaron pairs in conjugated polymers; De Sio, A., Troiani, F., Maiuri, M., Réhault, J., Sommer, E., Lim, J., Huelga, S.F., Plenio, M.B., Rozzi, C.A., Cerullo, G., Molinari, E., Lienau, C.; Nature Communications (7); 13742 (2016) 10.1038/ncomms13742

Coherent ultrafast polaron pair formation in a conjugated polymer at room temperature; De Sio, A., Sommer, E., Troiani, F., Rehault, J., Maiuri, M., Molinari, E., Cerullo, G., Lienau, C.; 2016 Conference on Lasers and Electro-Optics, CLEO 2016 7787953 (2016) 10.1364/cleo_qels.2016.fw4n.2

Coherent vibronic coupling in a conjugated polymer at room temperature; De Sio, A., Sommer, E., Troiani, F., Maiuri, M., Rehault, J., Lim, J., Huelga, S.F., Plenio, M.B., Molinari, E., Cerullo, G., Lienau, C.; Optics InfoBase Conference Papers - (2016) 10.1364/UP.2016.UW3A.5

Coherent ultrafast polaron pair formation in a conjugated polymer at room temperature; De Sio A., Sommer E., Troiani F., Rehault J., Maiuri M., Molinari E., Cerullo G., Lienau C.; Optics InfoBase Conference Papers FW4N.2 (2016)

Coherent vibronic coupling in a conjugated polymer at room temperature; De Sio A., Sommer E., Troiani F., Maiuri M., Rehault J., Lim J., Huelga S.F., Plenio M.B., Molinari E., Cerullo G., Lienau C.; Optics InfoBase Conference Papers (2016) 10.1364/UP.2016.UW3A.5

Surface-assisted reactions toward formation of graphene nanoribbons on Au(110) surface; Massimi, L., Ourdjini, O., Lafferentz, L., Koch, M., Grill, L., Cavaliere, E., Gavioli, L., Cardoso, C., Prezzi, D., Molinari, E., Ferretti, A., Mariani, C., Betti, M.G.; Journal of Physical Chemistry C (119); 2427-2437 (2015) 10.1021/jp509415r

Probing coherent ultrafast exciton dissociation in a polymer: Fullerene photovoltaic absorber; De Sio, A., Sommer, E., Maiuri, M., Rehault, J., Rozzi, C.A., Molinari, E., Cerullo, G., Lienau, C.; CLEO: QELS - Fundamental Science, CLEO_QELS 2015 1551p- (2015) 10.1364/CLEO_QELS.2015.FM2B.4

First-principles comparative study on the interlayer adhesion and shear strength of transition-metal dichalcogenides and graphene; Levita, G., Molinari, E., Polcar, T., Righi, M.C.; Physical Review B - Condensed Matter and Materials Physics (92); 085434 (2015) 10.1103/PhysRevB.92.085434

Coherent ultrafast charge transfer in an organic photovoltaic blend; Sio, A.D., Falke, S.M., Rozzi, C.A., Brida, D., Maiuri, M., Amato, M., Sommer, E., Rubio, A., Cerullo, G., Molinari, E., Lienau, C.; Springer Proceedings in Physics (162); 557-560 (2015) 10.1007/978-3-319-13242-6_136

Probing coherent ultrafast exciton dissociation in a polymer: Fullerene photovoltaic absorber; De Sio, A., Sommer, E., Maiuri, M., Rehault, J., Rozzi, C.A., Molinari, E., Cerullo, G., Lienau, C.; Conference on Lasers and Electro-Optics Europe - Technical Digest (2015-August); 7183070 (2015)

Coherent ultrafast exciton dissociation in polymer: Fullerene thin films; De Sio A., Sommer E., Maiuri M., Rehault J., Rozzi C.A., Molinari E., Cerullo G., Lienau C.; Optics InfoBase Conference Papers (2015)

Ab initio simulation of optical limiting: The case of metal-free phthalocyanine; Cocchi, C., Prezzi, D., Ruini, A., Molinari, E., Rozzi, C.A.; Physical Review Letters (112); 198303 (2014) 10.1103/PhysRevLett.112.198303

Coherent ultrafast charge transfer in an organic photovoltaic blend; Falke, S.M., Rozzi, C.A., Brida, D., Maiuri, M., Amato, M., Sommer, E., De Sio, A., Rubio, A., Cerullo, G., Molinari, E., Lienau, C.; Science (344); 1001-1005 (2014) 10.1126/science.1249771

Exciton-dominated optical response of ultra-narrow graphene nanoribbons; Denk, R., Hohage, M., Zeppenfeld, P., Cai, J., Pignedoli, C.A., Söde, H., Fasel, R., Feng, X., Müllen, K., Wang, S., Prezzi, D., Ferretti, A., Ruini, A., Molinari, E., Ruffieux, P.; Nature Communications (5); 4253 (2014) 10.1038/ncomms5253

Anisotropy and size effects on the optical spectra of polycyclic aromatic hydrocarbons; Cocchi, C., Prezzi, D., Ruini, A., Caldas, M.J., Molinari, E.; Journal of Physical Chemistry A (118); 6507-6513 (2014) 10.1021/jp503054j

Optical properties of bilayer graphene nanoflakes; De Corato, M., Cocchi, C., Prezzi, D., Caldas, M.J., Molinari, E., Ruini, A.; Journal of Physical Chemistry C (118); 23219-23225 (2014) 10.1021/jp504222m

Sliding properties of MoS2 layers: Load and interlayer orientation effects; Levita, G., Cavaleiro, A., Molinari, E., Polcar, T., Righi, M.C.; Journal of Physical Chemistry C (118); 13809-13816 (2014) 10.1021/jp4098099

Light-Induced Field Enhancement in Nanoscale Systems from First-Principles: The Case of Polyacenes; Bursi, L., Calzolari, A., Corni, S., Molinari, E.; ACS Photonics (1); 1049-1058 (2014) 10.1021/ph500269q

Coherent ultrafast exciton dissociation in polymer: Fullerene thin films; De Sio, A., Sommer, E., Maiuri, M., Rehault, J., Rozzi, C.A., Molinari, E., Cerullo, G., Lienau, C.; Optics InfoBase Conference Papers - (2014)

Coherent ultrafast charge transfer in an organic photovoltaic blend; De Sio, A., Falke, S.M., Rozzi, C.A., Brida, D., Maiuri, M., Amato, M., Sommer, E., Rubio, A., Cerullo, G., Molinari, E., Lienau, C.; Optics InfoBase Conference Papers - (2014) 10.1364/up.2014.10.thu.e.3

Quantum coherence controls the charge separation in a prototypical artificial light harvesting system; Falke, S.M., Rozzi, C.A., Spallanzani, N., Rubio, A., Molinari, E., Brida, D., Maiuri, M., Cerullo, G., Schramm, H., Christoffers, J., Lienau, C.; EPJ Web of Conferences (41); 08017 (2013) 10.1051/epjconf/20134108017

Quantum coherence controls the charge separation in a prototypical artificial light-harvesting system; Andrea Rozzi, C., Maria Falke, S., Spallanzani, N., Rubio, A., Molinari, E., Brida, D., Maiuri, M., Cerullo, G., Schramm, H., Christoffers, J., Lienau, C.; Nature Communications (4); 1602 (2013) 10.1038/ncomms2603

Concavity effects on the optical properties of aromatic hydrocarbons; Cocchi, C., Prezzi, D., Ruini, A., Caldas, M.J., Fasolino, A., Molinari, E.; Journal of Physical Chemistry C (117); 12909-12915 (2013) 10.1021/jp4036259

Quantum coherence controls the charge separation in a prototypical artificial light harvesting system; Falke, S.M., Rozzi, C.A., Spallanzani, N., Rubio, A., Molinari, E., Brida, D., Maiuri, M., Cerullo, G., Schramm, H., Christoffers, J., Lienau, C.; Optics InfoBase Conference Papers - (2013)

Quantum coherence controls the charge separation in a prototypical artificial light harvesting system; Falke, S.M., Rozzi, C.A., Spallanzani, N., Rubio, A., Molinari, E., Brida, D., Maiuri, M., Cerullo, G., Schramm, H., Christoffers, J., Lienau, C.; 2013 Conference on Lasers and Electro-Optics Europe and International Quantum Electronics Conference, CLEO/Europe-IQEC 2013 6801895 (2013) 10.1109/CLEOE-IQEC.2013.6801895

Optical excitations and field enhancement in short graphene nanoribbons; Cocchi, C., Prezzi, D., Ruini, A., Benassi, E., Caldas, M.J., Corni, S., Molinari, E.; Journal of Physical Chemistry Letters (3); 924-929 (2012) 10.1021/jz300164p

Friction by shear deformations in multilayer graphene; Reguzzoni, M., Fasolino, A., Molinari, E., Righi, M.C.; Journal of Physical Chemistry C (116); 21104-21108 (2012) 10.1021/jp306929g

Electronics and optics of graphene nanoflakes: Edge functionalization and structural distortions; Cocchi, C., Prezzi, D., Ruini, A., Caldas, M.J., Molinari, E.; Journal of Physical Chemistry C (116); 17328-17335 (2012) 10.1021/jp300657k

Quantum coherence controls the charge separation in a prototypical artificial light harvesting system; Falke, S.M., Rozzi, C.A., Spallanzani, N., Rubio, A., Molinari, E., Brida, D., Maiuri, M., Cerullo, G., Schramm, H., Christoffers, J., Lienau, C.; 2012 Conference on Lasers and Electro-Optics, CLEO 2012 6326879 (2012)

Potential energy surface for graphene on graphene: Ab initio derivation, analytical description, and microscopic interpretation; Reguzzoni, M., Fasolino, A., Molinari, E., Righi, M.C.; Physical Review B - Condensed Matter and Materials Physics (86); 245434 (2012) 10.1103/PhysRevB.86.245434

Quantum coherence controls the charge separation in a prototypical artificial light harvesting system; Falke, S.M., Rozzi, C.A., Spallanzani, N., Rubio, A., Molinari, E., Brida, D., Maiuri, M., Cerullo, G., Schramm, H., Christoffers, J., Lienau, C.; Optics InfoBase Conference Papers - (2012)

SiO2 in density functional theory and beyond; Martin-Samos, L., Bussi, G., Ruini, A., Molinari, E., Caldas, M.J.; Physica Status Solidi (B) Basic Research (248); 1061-1066 (2011) 10.1002/pssb.201046283

Designing All-graphene nanojunctions by covalent functionalization; Cocchi, C., Ruini, A., Prezzi, D., Caldas, M.J., Molinari, E.; Journal of Physical Chemistry C (115); 2969-2973 (2011) 10.1021/jp109909s

Optical properties and charge-transfer excitations in edge-functionalized all-graphene nanojunctions; Cocchi, C., Prezzi, D., Ruini, A., Caldas, M.J., Molinari, E.; Journal of Physical Chemistry Letters (2); 1315-1319 (2011) 10.1021/jz200472a

SiO2 in Density Functional Theory and Beyond; Martin-Samos, L., Bussi, G., Ruini, A., Molinari, E., Caldas, M.J.; Advanced Calculations for Defects in Materials: Electronic Structure Methods 201-211 (2011) 10.1002/9783527638529.ch12

Protein-surface interactions: Challenging experiments and computations; Cohavi, O., Corni, S., de Rienzo, F., di Felice, R., Gottschalk, K.E., Hoefling, M., Kokh, D., Molinari, E., Schreiber, G., Vaskevich, A., Wade, R.C.; Journal of Molecular Recognition (23); 259-262 (2010) 10.1002/jmr.993

Unraveling effects of disorder on the electronic structure of SiO2 from first principles; Martin-Samos, L., Bussi, G., Ruini, A., Molinari, E., Caldas, M.J.; Physical Review B - Condensed Matter and Materials Physics (81); 081202 (2010) 10.1103/PhysRevB.81.081202

Spin-transport selectivity upon Co adsorption on antiferromagnetic graphene nanoribbons; Cocchi, C., Prezzi, D., Calzolari, A., Molinari, E.; Journal of Chemical Physics (133); 124703 (2010) 10.1063/1.3478317

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