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1Academic JournalComputational Characterization of β-Li3PS4 Solid Electrolyte: From Bulk and Surfaces to Nanocrystals
المؤلفون: Naiara Leticia Marana, Mauro Francesco Sgroi, Lorenzo Maschio, Anna Maria Ferrari, Maddalena D’Amore, Silvia Casassa
المصدر: Nanomaterials, Vol 12, Iss 16, p 2795 (2022)
مصطلحات موضوعية: solid-state electrolyte, lithium batteries, DFT, Li3PS4, Wulff nanocrystals, Chemistry, QD1-999
وصف الملف: electronic resource
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2Academic Journal
المؤلفون: Kierstin Torres, Agnieszka Kuc, Lorenzo Maschio, Thang Pham, Kate Reidy, Lukas Dekanovsky, Zdenek Sofer, Frances M. Ross, Julian Klein
المساهمون: Kierstin Torre, Agnieszka Kuc, Lorenzo Maschio, Thang Pham, Kate Reidy, Lukas Dekanovsky, Zdenek Sofer, Frances M. Ro, Julian Klein
Relation: firstpage:2211366; lastpage:2211366; numberofpages:12; journal:ADVANCED FUNCTIONAL MATERIALS; https://hdl.handle.net/2318/1886054; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85146065761
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3Academic Journal
المؤلفون: Naiara Leticia Marana, Silvia Casassa, Mauro Francesco Sgroi, Lorenzo Maschio, Fabrizio Silveri, Maddalena D’Amore, Anna Maria Ferrari
مصطلحات موضوعية: Biophysics, Biochemistry, Science Policy, Astronomical and Space Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, shown superior behavior, solid electrolytes form, promote structural defects, 4 , 3 , 2 , liquid electrolytes, topological analysis, structural stability, quite unstable, possible way, passivating coating, mutual affinity, metal electrode, mechanical stress, many advantages, lithium anode, including simplicity, dft methods, correct functioning, battery design, adhesion energy
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4Academic Journal
المؤلفون: Alessandro Erba (5199497), Jacques K. Desmarais (6841559), Silvia Casassa (1735063), Bartolomeo Civalleri (1594207), Lorenzo Donà (7973792), Ian J. Bush (7877792), Barry Searle (14244203), Lorenzo Maschio (1371075), Loredana Edith-Daga (14244206), Alessandro Cossard (10136921), Chiara Ribaldone (10720854), Eleonora Ascrizzi (14244209), Naiara L. Marana (5865812), Jean-Pierre Flament (2338423), Bernard Kirtman (2006059)
مصطلحات موضوعية: Biophysics, Medicine, Biotechnology, Ecology, Statistics, Computational Biology, Space Science, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, solid state physics, solid state chemists, noteworthy applications reviewed, main developments made, density functional theory, last five years, e ., since, molecular quantum chemistry, many years, rich variety, previous release, peculiarity stems, many properties, linear combination, etc .), corresponding efficiency, correlation potential, broad community, better description, atomic orbitals
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5
المؤلفون: Maddalena D'Amore, Loredana Edith Daga, Riccardo Rocca, Mauro Francesco Sgroi, Naiara Leticia Marana, Silvia Maria Casassa, Lorenzo Maschio, Anna Maria Ferrari
المصدر: Physical Chemistry Chemical Physics. 24:22978-22986
مصطلحات موضوعية: General Physics and Astronomy, Physical and Theoretical Chemistry
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6
المؤلفون: Cristina Artini, Giovanni Pennelli, Patrizio Graziosi, Zhen Li, Neophytos Neophytou, Claudio Melis, Luciano Colombo, Eleonora Isotta, Ketan Lohani, Paolo Scardi, Alberto Castellero, Marcello Baricco, Mauro Palumbo, Silvia Casassa, Lorenzo Maschio, Marcella Pani, Giovanna Latronico, Paolo Mele, Francesca Di Benedetto, Gaetano Contento, Maria Federica De Riccardis, Raffaele Fucci, Barbara Palazzo, Antonella Rizzo, Valeria Demontis, Domenic Prete, Muhammad Isram, Francesco Rossella, Alberto Ferrario, Alvise Miozzo, Stefano Boldrini, Elisabetta Dimaggio, Marcello Franzini, Simone Galliano, Claudia Barolo, Saeed Mardi, Andrea Reale, Bruno Lorenzi, Dario Narducci, Vanira Trifiletti, Silvia Milita, Alessandro Bellucci, Daniele M Trucchi
المساهمون: Artini, Cristina, Pennelli, Giovanni, Graziosi, Patrizio, Li, Zhen, Neophytou, Neophyto, 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 M, 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, 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
مصطلحات موضوعية: thermoelectric devices, CHIM/03 - CHIMICA GENERALE ED INORGANICA, thermoelectric device, Bioengineering, ING-IND/22 - SCIENZA E TECNOLOGIA DEI MATERIALI, thermoelectricity, Modelling, Settore FIS/03 - Fisica della Materia, modelling, Electronic transport, Heat transport, Thermoelectric devices, Thermoelectric materials, Thermoelectricity, electronic transport, General Materials Science, Electrical and Electronic Engineering, FIS/03 - FISICA DELLA MATERIA, heat transport, thermoelectric materials, thermoelectric material, Mechanical Engineering, Settore FIS/01 - Fisica Sperimentale, General Chemistry, Settore FIS/07 - Fisica Applicata(Beni Culturali, Ambientali, Biol.e Medicin), CHIM/02 - CHIMICA FISICA, FIS/01 - FISICA SPERIMENTALE, Mechanics of Materials
وصف الملف: STAMPA
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7
المؤلفون: Alessandro Erba, Jacques K. Desmarais, Silvia Casassa, Bartolomeo Civalleri, Lorenzo Donà, Ian J. Bush, Barry Searle, Lorenzo Maschio, Loredana Edith-Daga, Alessandro Cossard, Chiara Ribaldone, Eleonora Ascrizzi, Naiara L. Marana, Jean-Pierre Flament, Bernard Kirtman
المساهمون: Dipartimento di Chimica, Università degli studi di Torino = University of Turin (UNITO), STFC Rutherford Appleton Laboratory (RAL), Science and Technology Facilities Council (STFC), Dipartimento di Chimica IFM and NIS, Physico-Chimie Moléculaire Théorique (PCMT), Laboratoire de Physique des Lasers, Atomes et Molécules - UMR 8523 (PhLAM), Université de Lille-Centre National de la Recherche Scientifique (CNRS)-Université de Lille-Centre National de la Recherche Scientifique (CNRS), Department of Chemistry and Biochemistry [Santa Barbara], University of California [Santa Barbara] (UC Santa Barbara), University of California (UC)-University of California (UC)
المصدر: Journal of Chemical Theory and Computation
Journal of Chemical Theory and Computation, 2022, ⟨10.1021/acs.jctc.2c00958⟩مصطلحات موضوعية: [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], Physical and Theoretical Chemistry, Computer Science Applications
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8
المؤلفون: Kierstin Torres, Agnieszka Kuc, Lorenzo Maschio, Thang Pham, Kate Reidy, Lukas Dekanovsky, Zdenek Sofer, Frances M. Ross, Julian Klein
المصدر: Advanced Functional Materials 33(2023)12, 2211366
مصطلحات موضوعية: Biomaterials, Condensed Matter - Materials Science, Condensed Matter - Mesoscale and Nanoscale Physics, Mesoscale and Nanoscale Physics (cond-mat.mes-hall), Electrochemistry, Materials Science (cond-mat.mtrl-sci), FOS: Physical sciences, Condensed Matter Physics, Electronic, Optical and Magnetic Materials
وصف الملف: application/pdf
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9
المؤلفون: Thomas Heine, Daniel Kats, Lorenzo Maschio, Denis Usvyat, Hung Hsuan Lin
المصدر: Journal of Chemical Theory and Computation. 16:7100-7108
مصطلحات موضوعية: Physics, 010304 chemical physics, Hartree–Fock method, Order (ring theory), Configuration interaction, 01 natural sciences, Computer Science Applications, Active space, Fragment (logic), Scheme (mathematics), Quantum mechanics, 0103 physical sciences, Physical and Theoretical Chemistry, Perturbation theory, Wave function
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10
المؤلفون: Eleonora Ascrizzi, Silvia Casassa, Loredana Edith Daga, Atreyi Dasmahapatra, Lorenzo Maschio, Antti J Karttunen, Stefano Boldrini, Alberto Ferrario, Carlo Fanciulli, Francesco Aversano, Marcello Baricco, Alberto Castellero
المساهمون: University of Turin, Department of Chemistry and Materials Science, National Research Council of Italy, Aalto-yliopisto, Aalto University
المصدر: Nanotechnology. 34:315703
مصطلحات موضوعية: band structure, Mechanical Engineering, Bioengineering, General Chemistry, thermoelectric, DFT, half Heusler, defects, secondary phases, transport properties, Mechanics of Materials, General Materials Science, Electrical and Electronic Engineering
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11
المؤلفون: Thomas, Mullan, Lorenzo, Maschio, Peter, Saalfrank, Denis, Usvyat
المصدر: The Journal of chemical physics. 156(7)
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12
المؤلفون: Mauro Palumbo, Kazuaki Kisu, Valerio Gulino, Carlo Nervi, Lorenzo Maschio, Silvia Casassa, Shin-ichi Orimo, Marcello Baricco
مصطلحات موضوعية: General Energy, Physical and Theoretical Chemistry, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials
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13
المؤلفون: Thomas Mullan, Lorenzo Maschio, Peter Saalfrank, Denis Usvyat
مصطلحات موضوعية: General Physics and Astronomy, Physical and Theoretical Chemistry
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14
المؤلفون: Lorenzo Maschio, Francois Mairesse, Benoît CHAMPAGNE
المصدر: The Journal of Chemical Physics. 158:064707
مصطلحات موضوعية: General Physics and Astronomy, Physical and Theoretical Chemistry
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15
المؤلفون: Lorenzo Maschio, Loredana Edith Daga
المصدر: Journal of Chemical Theory and Computation
مصطلحات موضوعية: Physics, Molecular physics, Article, Computer Science Applications, Brillouin zone, Condensed Matter::Materials Science, Aufbau principle, Excited state, Quasiparticle, Electron configuration, Physical and Theoretical Chemistry, Translational symmetry, Ground state, Excitation
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16
المؤلفون: Bernard Kirtman, Lorenzo Maschio
المصدر: Journal of Chemical Theory and Computation. 16:340-353
مصطلحات موضوعية: Physics, 010304 chemical physics, Basis (linear algebra), 01 natural sciences, Projection (linear algebra), Computer Science Applications, Fock matrix, Quantum mechanics, 0103 physical sciences, Dual basis, Physics::Atomic and Molecular Clusters, Physical and Theoretical Chemistry, Perturbation theory, Mulliken population analysis, Eigenvalues and eigenvectors, Basis set
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17
المؤلفون: Denis Usvyat, Thomas Heine, Hung Hsuan Lin, Daniel Kats, Lorenzo Maschio
مصطلحات موضوعية: Physics, chemistry.chemical_compound, chemistry, Hartree–Fock method, Graphane, Electronic structure, Physics::Chemical Physics, Perturbation theory, Configuration interaction, Wave function, Potential energy, Molecular physics, Dissociation (chemistry)
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18
المؤلفون: Loredana Edith Daga, Lorenzo Maschio, Bartolomeo Civalleri
المصدر: Journal of Chemical Theory and Computation
مصطلحات موضوعية: Valence (chemistry), 010304 chemical physics, Gaussian, Ionic bonding, 01 natural sciences, Quantum chemistry, Article, Computer Science Applications, symbols.namesake, Atomic orbital, 0103 physical sciences, symbols, Molecule, Statistical physics, Physical and Theoretical Chemistry, Condition number, Basis set
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19
المؤلفون: Antti J. Karttunen, Giuseppe Sansone, Jarno Linnera, Lorenzo Maschio
المساهمون: Department of Chemistry and Materials Science, University of Turin, Aalto-yliopisto, Aalto University
المصدر: The Journal of Physical Chemistry C. 122:15180-15189
مصطلحات موضوعية: Materials science, 02 engineering and technology, 010402 general chemistry, Electronic, Optical and Magnetic Materials, Energy (all), Physical and Theoretical Chemistry, Surfaces, Coatings and Films, 7. Clean energy, 01 natural sciences, Coatings and Films, Crystal, Seebeck coefficient, Thermoelectric effect, Electronic, Optical and Magnetic Materials, ta216, Wave function, Electronic band structure, Condensed matter physics, 021001 nanoscience & nanotechnology, 0104 chemical sciences, Surfaces, General Energy, Density functional theory, 0210 nano-technology, Electron scattering, Free parameter
وصف الملف: application/pdf
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20
المؤلفون: C. Romero-Muñiz, Anna Maria Ferrari, Lorenzo Maschio, Mauro Sgroi, A. Dasmahapatra, R. Martinez-Casado
المصدر: Physica B: Condensed Matter. 620:413241
مصطلحات موضوعية: Materials science, Permanent magnets, Doping, Ab initio, Rare-earth elements, Condensed Matter Physics, Ab-initio calculations, Molecular physics, Electronic, Optical and Magnetic Materials, Crystal, Atomic orbital, Ab initio quantum chemistry methods, Magnet, Magnetic properties, Electrical and Electronic Engineering, Spin (physics), Solid solution
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