Showing results 1 to 50 of 102
Title Issue Date Author(s) Journal Publisher
Thermal conductivity in SiGe nanocomposites In press Melis, Claudio; Colombo, Luciano PHYSICAL REVIEW LETTERS -
Tailoring the transport coefficients and thermoelectric properties of Cs2NaYbCl6 perovskite by doping and nanoengineering: A first-principles based theoretical approach 1-Jan-2026 Cappai, Antonio; Melis, Claudio; Colombo, Luciano PHYSICAL REVIEW MATERIALS -
Unraveling Energy Flow Mechanisms in Semiconductors by Ultrafast Spectroscopy: Germanium as a Case Study 1-Jan-2026 Raciti, G.; Abad, B.; Dettori, R.; Sen, R.; K. Sivan, A.; Sojo-Gordillo, J. M.; Vast, N.; Rurali, R.; Melis, C.; Sjakste, J.; Zardo, I. ADVANCED SCIENCE -
Thermal Conductivity of Graphene Moiré Superlattices at Small Twist Angles: An Approach-to-Equilibrium Molecular Dynamics and Boltzmann Transport Study 1-Jan-2025 Manunza, Lorenzo; Dettori, Riccardo; Cappai, Antonio; Melis, Claudio C -
Coherent phonon transport in 2D layered metal organic frameworks 1-Jan-2025 Dettori, R.; Beljonne, D.; Colombo, L.; Melis, C. SCIENTIFIC REPORTS -
An In Situ TEM Study of the Diffusivity of Gold Atoms in Nanocomposite Thin Films by Zirconia Co-Deposition: Implication for Neuromorphic Devices 1-Jan-2025 Casu, Alberto; Melis, Claudio; Divitini, Giorgio; Profumo, Filippo; Lizzano, Mattia; Borghi, Francesca; Ivanov, Yurii P.; Dettori, Riccardo; Colombo, Luciano; Milani, Paolo; Falqui, Andrea ACS APPLIED NANO MATERIALS -
Superlattice Thermal Modulation in MoS2 by Defect Engineering 1-Jan-2025 Dettori, Riccardo; Siddi, Francesco; Colombo, Luciano; Melis, Claudio ADVANCED THEORY AND SIMULATIONS -
Understanding hydrogen and heat diffusion across c-Si/a-Si:H heterojunctions for improved thermal management in solar cells fabrication 1-Jan-2025 Dettori, Riccardo; Melis, Claudio; Colombo, Luciano NANOTECHNOLOGY -
Understanding hydrogen and heat diffusion across c–Si/a–Si:H heterojunctions for improved thermal management in solar cells fabrication 1-Jan-2025 Dettori, Riccardo; Melis, Claudio; Colombo, Luciano NANOTECHNOLOGY -
A machine-learned interatomic potential for defects investigation in lead-free double perovskite Cs2NaYbCl6 1-Jan-2025 Dettori, Riccardo; Cappai, Antonio; Melis, Claudio; Colombo, Luciano NANO EXPRESS -
Sustainable Photocatalysis with Phenyl-Modified g-C3N4/TiO2 Polymer Hybrids: A Combined Computational and Experimental Investigation 1-Jan-2025 Dettori, Riccardo; Ghourichay, Sahar Aghapour; Porcu, Stefania; Melis, Claudio; Colombo, Luciano; Ricci, Pier Carlo POLYMERS -
Role of electron-phonon scattering on thermoelectric coefficients in pristine Cs2NaYbCl6 perovskite: A full DFT approach 1-Jan-2025 Cappai, Antonio; Melis, Claudio; Colombo, Luciano PHYSICAL REVIEW MATERIALS -
A Theoretical Investigation on Coupled Mass‐charge Transport in a Binary Fluid 1-Jan-2025 Cappai, Antonio; Loi, Daniele; Melis, Claudio; Colombo, Luciano ADVANCED THEORY AND SIMULATIONS -
Graphene quantum dots and carbon nanodots: modeling of zero-dimensional carbon nanomaterials 1-Jan-2024 Carbonaro, CARLO MARIA; Engelbrecht, Leon; Olla, Chiara; Cappai, Antonio; Maria, ; Casula, Francesca; Melis, Claudio; Stagi, Luigi; Laaksonen, Aatto; Mocci, Francesca - Woodhead Publishing; Elsevier
An Ab Initio Investigation of Ultra‐Low Thermal Conductivity in Organically Functionalized TaS2${\rm TaS}_2$ 1-Jan-2024 Siddi, Francesco; Cappai, Antonio; Colombo, Luciano; Melis, Claudio ADVANCED THEORY AND SIMULATIONS -
Slow magnetic relaxation in a heteroleptic anilate-based DyIII metal–organic framework 1-Jan-2024 Oggianu, Mariangela; Bertolotti, Federica; Manna, Fabio; Congiu, Francesco; Cappai, Antonio; Melis, Claudio; Concas, Giorgio; Avarvari, Narcis; Masciocchi, Norberto; Mercuri, Maria Laura DALTON TRANSACTIONS -
Introducing the concept of generalized thermal diffusivity to understand coupled heat–charge transport in ionic solutions 1-Jan-2024 Cappai, Antonio; Dettori, Riccardo; Marini, Federica; Melis, Claudio; Colombo, Luciano APPLIED PHYSICS LETTERS -
Manipulating molecular orientation in vapor-deposited organic semiconductor glasses via in situ electric fields: a molecular dynamics study 1-Jan-2024 Rodríguez-López, Marta; Gonzalez-Silveira, Marta; Cappai, Antonio; Dettori, Riccardo; Rodríguez-Tinoco, Cristian; Melis, Claudio; Colombo, Luciano; Rodríguez-Viejo, Javier JOURNAL OF MATERIALS CHEMISTRY. C -
Modeling the Coupled Mass‐Heat Transport in Lennard–Jones‐Like Binary Mixtures by Approach‐to‐Equilibrium Molecular Dynamics 1-Jan-2024 Cappai, Antonio; Colombo, Luciano; Melis, Claudio ADVANCED THEORY AND SIMULATIONS -
Multiscale Modelling of Resistive Switching in Gold Nanogranular Films* 1-Jan-2023 López-Suárez, Miquel; Melis, Claudio; Colombo, Luciano; Tarantino, Walter - -
Interplay Between Doping, Morphology, and Lattice Thermal Conductivity in PEDOT:PSS 1-Jan-2023 Floris, Ps; Melis, C; Rurali, R ADVANCED FUNCTIONAL MATERIALS -
Molecular Dynamics Simulations of Thermal Transport in Solid State Systems 1-Jan-2023 Cappai, Antonio; Melis, Claudio; Colombo, Luciano; Dettori, Riccardo - Elsevier
Thermal transport in H-terminated ultrathin [110] Si nanowires: a first principles study 1-Jan-2023 Hahn, Konstanze R.; Melis, Claudio; Bernardini, Fabio; Paulatto, Lorenzo; Colombo, Luciano THE EUROPEAN PHYSICAL JOURNAL PLUS -
Strong Anharmonicity at the Origin of Anomalous Thermal Conductivity in Double Perovskite Cs2 NaYbCl6 1-Jan-2023 Cappai, Antonio; Melis, Claudio; Marongiu, Daniela; Quochi, Francesco; Saba, Michele; Congiu, Francesco; He, Yihui; Slade, Tyler J; Kanatzidis, Mercouri G; Colombo, Luciano ADVANCED SCIENCE -
Transient absorption study on Red Vermilion darkening in presence of chlorine ions and after UV exposure 1-Jan-2023 Pisu, F. A.; Marceddu, M.; Ricci, P. C.; Melis, C.; Porcu, S.; Carbonaro, C. M.; Chiriu, D. JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY. A, CHEMISTRY -
Computing the Lattice Thermal Conductivity of Small-Molecule Organic Semiconductors: A Systematic Comparison of Molecular Dynamics Based Methods 1-Jan-2023 Vercouter, A; Lemaur, V; Melis, C; Cornil, J ADVANCED THEORY AND SIMULATIONS -
Roadmap on thermoelectricity 1-Jan-2023 Artini, Cristina; Pennelli, Giovanni; Graziosi, Patrizio; Li, Zhen; Neophytou, Neophytos; Melis, Claudio; Colombo, Luciano; Isotta, Eleonora; Lohani, Ketan; Scardi, Paolo; Castellero, Alberto; Baricco, Marcello; Palumbo, Mauro; Casassa, Silvia; Maschio, Lorenzo; Pani, Marcella; Latronico, Giovanna; Mele, Paolo; Di Benedetto, Francesca; Contento, Gaetano; De Riccardis, Maria Federica; Fucci, Raffaele; Palazzo, Barbara; Rizzo, Antonella; Demontis, Valeria; Prete, Domenic; Isram, Muhammad; Rossella, Francesco; Ferrario, Alberto; Miozzo, Alvise; Boldrini, Stefano; Dimaggio, Elisabetta; Franzini, Marcello; Galliano, Simone; Barolo, Claudia; Mardi, Saeed; Reale, Andrea; Lorenzi, Bruno; Narducci, Dario; Trifiletti, Vanira; Milita, Silvia; Bellucci, Alessandro; Trucchi, Daniele Maria NANOTECHNOLOGY -
Thermally Promoted Cation Exchange at the Solid State in the Transmission Electron Microscope: How It Actually Works 1-Jan-2023 Casu, Alberto; Lopez, Miquel; Melis, Claudio; Deiana, Davide; Li, Hongbo; Colombo, Luciano; Falqui, Andrea ACS NANO -
Stiffening of nanoporous gold: experiment, simulation and theory 1-Jan-2022 Melis, C; Pia, G; Sogne, E; Falqui, A; Giordano, S; Delogu, F; Colombo, L THE EUROPEAN PHYSICAL JOURNAL PLUS -
Thermal conduction and rectification phenomena in nanoporous silicon membranes 1-Jan-2022 Hahn, Konstanze R; Melis, Claudio; Colombo, Luciano PHYSICAL CHEMISTRY CHEMICAL PHYSICS -
The interplay of chemical structure, physical properties, and structural design as a tool to modulate the properties of melanins within mesopores 1-Jan-2022 Pira, Alessandro; Amatucci, Alberto; Melis, Claudio; Pezzella, Alessandro; Manini, Paola; D’Ischia, Marco; Mula, Guido SCIENTIFIC REPORTS -
Carbon Nanodots from an In Silico Perspective 1-Jan-2022 Mocci, Francesca; de Villiers Engelbrecht, Leon; Olla, Chiara; Cappai, Antonio; Casula, Maria Francesca; Melis, Claudio; Stagi, Luigi; Laaksonen, Aatto; Carbonaro, Carlo Maria CHEMICAL REVIEWS -
Rapid In Situ Detection of THC and CBD in Cannabis sativa L. by 1064 nm Raman Spectroscopy 1-Jan-2022 Porcu, S.; Tuveri, E.; Palanca, M.; Melis, C.; La Franca, I. M.; Satta, J.; Chiriu, D.; Carbonaro, C. M.; Cortis, P.; De Agostini, A.; Ricci, P. C. ANALYTICAL CHEMISTRY -
Insight into the Molecular Model in Carbon Dots through Experimental and Theoretical Analysis of Citrazinic Acid in Aqueous Solution 1-Jan-2021 Cappai, A.; Melis, C.; Stagi, L.; Ricci, P. C.; Mocci, F.; Carbonaro, C. M. JOURNAL OF PHYSICAL CHEMISTRY. C -
Intrinsic thermoelectric figure of merit of bulk compositional SiGe alloys: A first-principles study 1-Jan-2021 Hahn, K. R.; Melis, C.; Bernardini, F.; Colombo, L. PHYSICAL REVIEW MATERIALS -
Modeling charge transport in gold nanogranular films 1-Jan-2021 Lopez-Suarez, M.; Melis, C.; Colombo, L.; Tarantino, W. PHYSICAL REVIEW MATERIALS -
Emission mechanism in single and co-doped Tb:Eu:CaZnOS 1-Jan-2021 Corpino, R.; Angioni, D.; Satta, J.; Ugbo, F. C.; Chiriu, D.; Carbonaro, C. M.; Melis, C.; Stagi, L.; Ricci, P. C. JOURNAL OF ALLOYS AND COMPOUNDS -
Raman spectra and vibrational analysis of CsPbI3: a fast and reliable technique to identify lead halide perovskite polymorphs 1-Jan-2021 Satta, J.; Melis, C.; Carbonaro, C. M.; Pinna, A.; Salado, M.; Salazar, D.; Ricci, P. C. JOURNAL OF MATERIOMICS -
Engineering the Thermal Conductivity of Doped SiGe by Mass Variance: A First-Principles Proof of Concept 1-Jan-2021 Hahn, K. R.; Melis, C.; Bernardini, F.; Colombo, L. FRONTIERS IN MECHANICAL ENGINEERING -
Thermal conductivity of benzothieno-benzothiophene derivatives at the nanoscale 1-Jan-2021 Gueye, M. N.; Vercouter, A.; Jouclas, R.; Guerin, D.; Lemaur, V.; Schweicher, G.; Lenfant, S.; Antidormi, A.; Geerts, Y.; Melis, C.; Cornil, J.; Vuillaume, D. NANOSCALE -
Observation of second sound in a rapidly varying temperature field in Ge 1-Jan-2021 Beardo, A.; Lopez-Suarez, M.; Perez, L. A.; Sendra, L.; Alonso, M. I.; Melis, C.; Bafaluy, J.; Camacho, J.; Colombo, L.; Rurali, R.; Alvarez, F. X.; Reparaz, J. S. SCIENCE ADVANCES -
Strong Suppression of Thermal Conductivity in the Presence of Long Terminal Alkyl Chains in Low-Disorder Molecular Semiconductors 1-Jan-2021 Selezneva, E.; Vercouter, A.; Schweicher, G.; Lemaur, V.; Broch, K.; Antidormi, A.; Takimiya, K.; Coropceanu, V.; Bredas, J. -L.; Melis, C.; Cornil, J.; Sirringhaus, H. ADVANCED MATERIALS -
Room temperature second sound in cumulene 1-Jan-2021 Melis, C.; Fugallo, G.; Colombo, L. PHYSICAL CHEMISTRY CHEMICAL PHYSICS -
Impact of synthetic conditions on the anisotropic thermal conductivity of poly(3,4-ethylenedioxythiophene) (PEDOT): A molecular dynamics investigation 1-Jan-2020 Cappai, A.; Antidormi, A.; Bosin, A.; Narducci, D.; Colombo, L.; Melis, C. PHYSICAL REVIEW MATERIALS -
Strain engineering of ZnO thermal conductivity 1-Jan-2019 Antonio Seijas-Bellido, Juan; Rurali, Riccardo; INIGUEZ GONZALES, Jorge; Colombo, Luciano; Melis, Claudio PHYSICAL REVIEW MATERIALS -
Mutagenesis computer experiments in pentameric ligand-gated ion channels: the role of simulation tools with different resolution 1-Jan-2019 Crnjar, Alessandro; Comitani, Federico; Melis, Claudio; Molteni, Carla INTERFACE FOCUS -
Optical and vibrational properties of CaZnOS: The role of intrinsic defects 1-Jan-2019 Ricci, P. C.; Satta, J.; Chiriu, D.; Corpino, R.; Carbonaro, C. M.; Salis, M.; Melis, C.; Normile, P. S.; De Toro, J. A. JOURNAL OF ALLOYS AND COMPOUNDS -
Driving the polymerization of PEDOT:PSS by means of a nanoporous template: Effects on the structure 1-Jan-2019 Pinna, Andrea; Casula, M. F.; Pilia, L.; Cappai, A.; Melis, C.; Ricci, P. C.; Carbonaro, C. M. POLYMER -
Indications of Phonon Hydrodynamics in Telescopic Silicon Nanowires 1-Jan-2019 Melis, Claudio; Riccardo, Rurali; CARTOIXA' SOLER, Xavier; Xavier Alvarez, and F. PHYSICAL REVIEW APPLIED -
Interplay between synthetic conditions and micromorphology in poly (3, 4-ethylenedioxythiophene): tosylate (PEDOT: Tos): an atomistic investigation 1-Jan-2019 Cappai, Antonio; Antidormi, Aleandro; Bosin, Andrea; Galliani, Daniela.; Narducci, Dario; Melis, Claudio. PHYSICAL CHEMISTRY CHEMICAL PHYSICS -
Showing results 1 to 50 of 102
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