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2D Materials and Van der Waals Heterostructures : Physics and Applications
| 2D Materials and Van der Waals Heterostructures : Physics and Applications |
| Autore | Bartolomeo Antonio |
| Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2020 |
| Descrizione fisica | 1 online resource (170 p.) |
| Soggetto topico | Technology: general issues |
| Soggetto non controllato |
2D materials
adsorption energy and magnetic property CdS/g-C3N4 copper vanadate CVD density functional theory density of states diode electronic properties electronic structure field effect transistors first principles calculations fluorescence emission graphene graphene oxide graphene/MoS2 heterostructure half-metallocene heterojunction hybrid density functional Indium Selenide large-area Layer-dependent light-harvesting performance mechanical behaviors MOS (Metal Oxide Semiconductor) capacitor MXene optical properties palladium selenide monolayer photoanode photocatalysis photocatalytic properties photodetection photodetector photovoltaics physical properties PMMA Raman mapping responsivity Schottky barrier sensitivity Stone-Wales defected graphene strain-tunable surface plasmon resonance Ti3C2Tx transition metal dichalcogenide transition metal dichalcogenides tungsten diselenide type-II heterostructure van der Waals heterostructure water splitting work function WS2 ZnO/WS2 ZnO/WSe2 |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Altri titoli varianti | 2D Materials and Van der Waals Heterostructures |
| Record Nr. | UNINA-9910557146803321 |
Bartolomeo Antonio
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| Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2020 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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A Themed Issue Dedicated to Professor John B. Goodenough on the Occasion of His 100th Birthday Anniversary
| A Themed Issue Dedicated to Professor John B. Goodenough on the Occasion of His 100th Birthday Anniversary |
| Autore | Jobic Stephane |
| Pubbl/distr/stampa | Basel, : MDPI - Multidisciplinary Digital Publishing Institute, 2022 |
| Descrizione fisica | 1 online resource (256 p.) |
| Soggetto topico |
Chemistry
Physical chemistry Research and information: general |
| Soggetto non controllato |
(CuCl)LaNb2O7
alkali-alkali interactions anisotropic response batteries bifunctional catalyst bonding boron sub-oxide cathode cathode-electrolyte interface charge density plots collective or localized electrons covalent vanadyl bond Cu3(CO3)2(OH)2 defect engineering density functional theory DFT DOS electronic structure ELF energy-mapping analysis exchange integral fast Li+ ion conductor four-electron pathway four-state method Green's function method high-voltage hybrid catalyst indigo carmine interlayer interstitial atoms Keywords: spin exchange layered oxide cathodes Li diffusion Li-ion battery LiCuVO4 ligand p-orbital tails lithium ionic conductor lithium-ion battery lithium-sulfur batteries LMP® technology M-L-M exchange M-L...L-M exchange magnetic anisotropy magnetic ground state magnetic orbitals magnetism migration pathway mixed anion molecular anion MPS3 n/a organic battery oxide oxygen evolution reaction oxygen reduction reaction p-magnetism perovskite electrolyte perovskite structure physical properties polyanion positive electrode qualitative rules quantum Monte Carlo solid electrolyte solid polymer electrolyte solid state battery solid-state battery spin exchange spin Hamiltonian spinel structure thiosulfate mediator tungsten oxide nanowire vanadium phosphates α-CuV2O6 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910566469803321 |
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Jobic Stephane
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| Basel, : MDPI - Multidisciplinary Digital Publishing Institute, 2022 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Boron in Catalysis and Materials Chemistry: A Themed Issue in Honor of Professor Todd B. Marder on the Occasion of His 65th Birthday
| Boron in Catalysis and Materials Chemistry: A Themed Issue in Honor of Professor Todd B. Marder on the Occasion of His 65th Birthday |
| Autore | Kakkar Ashok |
| Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 |
| Descrizione fisica | 1 online resource (184 p.) |
| Soggetto topico | Technology: general issues |
| Soggetto non controllato |
1,1,1-tri(boryl)alkanes
1,1,2-tri(boryl)alkanes 1,1,2-tri(boryl)alkenes 1,2,3-tri(boryl)alkanes 1,4-bis(trimethylsilyl)-1,4-diaza-2,5-cyclohexadienes B=N bond boron closo-o-carborane color change conjugated hydrocarbon coupling reaction deboronation dicarbollide electronic structure electrophilic substitution fluorinated ligands fluorosulfanyl group Hirshfield Study IL-10 immobilization of antibodies intramolecular charge transfer iridium isoelectronic molecule kinase inhibitor m-carborane magnetic nanoparticles metallodrug n/a nido-o-carborane opto-electronics organic branches phosphines pre-concentration of antigens quantum chemistry rhodium rotational barrier ruthenium saliva matrix salt-free reduction singlet-triplet gap synthetic applications synthetic approaches tetracoordinated TNF-α π-conjugated materials |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Altri titoli varianti | Boron in Catalysis and Materials Chemistry |
| Record Nr. | UNINA-9910557633403321 |
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Kakkar Ashok
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| Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Carbon Ligands : From Fundamental Aspects to Applications
| Carbon Ligands : From Fundamental Aspects to Applications |
| Autore | Canac Yves |
| Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 |
| Descrizione fisica | 1 online resource (311 p.) |
| Soggetto topico | Research and information: general |
| Soggetto non controllato |
195Pt NMR
alkali metals amide amino-acids aromaticity asymmetric synthesis calixarene carbenes carbido complexes carbodiphosphorane carbon ligand carbone carbone complexes catalysis chemical bonding chirality coordination coordination chemistry copolymerization of epoxide with CO2 Cu(I) complex cyclooctatetraene ions dehydrogenation density functional theory density functional theory (DFT) DFT calculations drug resistance electrochemistry electron paramagnetic resonance (EPR) spectroscopy electronic structure germylene gold hafnium hybrid molecules imidazole intramolecular C-H activation ion pairs ligand ligands lithium macrocycle malaria mercury(II) complex metal complexes metathesis N-heterocyclic carbene N-heterocyclic carbenes n/a nanoparticle natural bond orbitals negative charge NHC NHC ligands NHC-ligands nitro catalysts olefins optical resolution oxide palladium catalyst phosphonium ylide phosphorus ylides photoluminescence pincer pincer ligand pincer ligands Plasmodium falciparum platinum potassium reactivity rhodium ruthenium selenonium salts selenonium ylides spectroscopy stereogenic selenium atom structure-activity relationship Suzuki-Miyaura reaction T-shaped titanium transition metal complexes tropylidenyl ions water X-ray ylide ylides |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Altri titoli varianti | Carbon Ligands |
| Record Nr. | UNINA-9910557372703321 |
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Canac Yves
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| Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Commemorative Issue in Honor of Professor Karlheinz Schwarz on the Occasion of His 80th Birthday
| Commemorative Issue in Honor of Professor Karlheinz Schwarz on the Occasion of His 80th Birthday |
| Autore | Chermette Henry |
| Pubbl/distr/stampa | Basel, : MDPI Books, 2022 |
| Descrizione fisica | 1 electronic resource (264 p.) |
| Soggetto topico |
Research & information: general
Chemistry Physical chemistry |
| Soggetto non controllato |
density functional theory
Coulomb systems excited states nodal variational principle DFT anatase TiO2(101) surface adsorption energy Bader charge helium atom screened Coulomb potential variational Monte Carlo method Lagrange mesh method comparison theorem TD-DFT MC-PDFT Lie-Clementi Colle-Salvetti OLEDs subphthalocyanines UV-visible spectra axial substituents peripheral substituents time-dependent DFT hexatetra-carbon electrical properties molecular aggregates singlet excitons triplet excitons TDDFT charge-transfer states charge-resonance states Frenkel states localized excitations diabatic states adiabatic states semiconductors oscillator strength hybrid exchange-correlation functional non-local potential statistics methods comparison benchmarking band gaps atomization energy DFT codes electronic structure calculation numerical accuracy and precision kinetic functional Yukawa potential periodic DFTB deMonNano graphene graphite benzene dimers deposited benzene supported clusters weighted mulliken charges LAPW method APW+lo method all-electron DFT density matrix functional embedding density-functional theory householder transformation He atomic basis sets helium dimer He2 potential well correlation energy complete basis set sigma basis set atomic multiplet theory crystal/ligand-field theory coordination compounds electronic structure Cu2OCl2 Cu2OBr2 Cu2OI2 oxyhalides magnetic couplings Néel temperature chemical pressure NMR machine learning zeolites |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910595067303321 |
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Chermette Henry
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| Basel, : MDPI Books, 2022 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Compounds with Polar Metallic Bonding / Constantin Hoch
| Compounds with Polar Metallic Bonding / Constantin Hoch |
| Autore | Hoch Constantin |
| Pubbl/distr/stampa | MDPI - Multidisciplinary Digital Publishing Institute, 2019 |
| Descrizione fisica | 1 electronic resource (154 p.) |
| Soggetto topico | Chemistry |
| Soggetto non controllato |
bonding analyses
coloring problem X-ray diffraction magnetism band structure group-subgroup alkaline-earth Zintl nitridometalate structure optimizations electronic structure polar intermetallics polar intermetallic intermetallic compounds XPS Zintl compounds stannides total energy COHP method symmetry reduction chemical bond plumbides ternary Laves phases powder diffraction intermetallics magnetic properties Ca14AlSb11 thermoelectric crystal structure liquid ammonia |
| ISBN |
9783039210718
3039210718 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910346673903321 |
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Hoch Constantin
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| MDPI - Multidisciplinary Digital Publishing Institute, 2019 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Computational Quantum Physics and Chemistry of Nanomaterials
| Computational Quantum Physics and Chemistry of Nanomaterials |
| Autore | Šob Mojmír |
| Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 |
| Descrizione fisica | 1 online resource (198 p.) |
| Soggetto topico | Research & information: general |
| Soggetto non controllato |
ab initio
ab initio calculations AlN atomic cluster azobenzene BTF CL-20 cocrystal critical size CsPb2Br5 CsPbBr3 CTAB decahedron defects defects binding energies density functional theory density-functional theory DFT dye-sensitized solar cells electronic structure energetic materials environment and health excess energy fcc Ni ferroelectricity first-principles first-principles physics generalized stacking fault energy gold grain boundary energy hazardous gas high-entropy alloys HSE06 hybrid functional interfacial energy large-scale ab initio molecular dynamics simulations low-dimensional material magnetic doping magnetism molecular mechanics n/a nanoflakes nanoparticles nanoribbon phase transition segregation energy shock sensitivity Si and Al impurity silver SnTe solvent polarity surface energy TATB thermodynamics tilt Σ5(210) grain boundary topological insulators vacancy |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910557583503321 |
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Šob Mojmír
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| Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Electronic and Thermal Properties of Graphene
| Electronic and Thermal Properties of Graphene |
| Autore | Rhee Kyong Yop |
| Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2020 |
| Descrizione fisica | 1 online resource (324 p.) |
| Soggetto topico | Technology: general issues |
| Soggetto non controllato |
2D materials
AFM applications Biosensor carbon fiber carbon foam carbon honeycomb carbon-coated separator chemical modified graphene chemical vapor deposition conductive adhesives CVD graphene defect Dirac fermions EDLC electrical electrical properties Electrochemical electronic and thermal conductivity electronic and thermal properties electronic materials electronic structure enantiomer recognition energy and power density ferromagnetism flexiable grafting-from graphene Graphene graphene nanoplatelet graphene oxide Graphene Oxide graphene quantum dots graphene-based applications graphene/2D materials graphene/metal oxide graphene/polymer HDPE humidity sensors hydrogenated epitaxial graphene isotropic pitch LAMMPS latent heat storage liquid exfoliation lithium-sulfur batteries mechanical properties metasurface molecular dynamic molecular dynamics n/a nanocomposite nanocomposites nanoindentation nanomaterials PECVD PEEP phase change material phase shift phenylalanine photocatalysis polarization polysulfide polyvinylidene fluoride PVDF pyrolysis fuel oil (PFO) quantum Hall effect Raman spectroscopy reduced graphene oxide rGO scrolls ripple ROP ruga Seebeck coefficient shuttle effect SnO2 aerogel sol-gel method supercapacitor thermal thermal conductivity thermal properties thermoelectric thermoelectric effect thiol functionalization transfer transparent heater tunability uniaxial tension wavefront shaping wrinkle |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910557122903321 |
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Rhee Kyong Yop
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| Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2020 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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First-Principles Prediction of Structures and Properties in Crystals / Dominik Kurzydlowski, Andreas Hermann
| First-Principles Prediction of Structures and Properties in Crystals / Dominik Kurzydlowski, Andreas Hermann |
| Autore | Kurzydlowski Dominik |
| Pubbl/distr/stampa | MDPI - Multidisciplinary Digital Publishing Institute, 2019 |
| Descrizione fisica | 1 electronic resource (128 p.) |
| Soggetto topico | Chemistry |
| Soggetto non controllato |
ab initio
magnetic Lennard-Jones superconductivity global optimisation electrical engineering first-principles semiconductors refractory metals genetic algorithm DFT crystal structure prediction electronic structure indium arsenide van der Waals corrections charged defects Ir-based intermetallics point defects electronic properties learning algorithms half-Heusler alloy molecular crystals chlorine optical properties ab initio calculations magnetic properties structure prediction thermoelectricity high-pressure density functional theory magnetic materials structural fingerprint crystal structure semihard materials silver formation energy Heusler alloy battery materials elastic properties |
| ISBN |
9783039216710
3039216716 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910367750203321 |
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Kurzydlowski Dominik
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| MDPI - Multidisciplinary Digital Publishing Institute, 2019 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Graphene and Other 2D Layered Nanomaterials and Hybrid Structures: Synthesis, Properties and Applications
| Graphene and Other 2D Layered Nanomaterials and Hybrid Structures: Synthesis, Properties and Applications |
| Autore | Cesano Federico |
| Pubbl/distr/stampa | Basel, : MDPI - Multidisciplinary Digital Publishing Institute, 2022 |
| Descrizione fisica | 1 online resource (182 p.) |
| Soggetto topico | Technology: general issues |
| Soggetto non controllato |
3D graphene
3YTZP adsorbent adsorption advanced oxidation anionic exchange arc-discharge plasma borocarbonitride ceramic nanocomposites charge transfer chitosan controlled growth CVD cyclodextrins direct plasma synthesis dispersible graphene dye removal dyes electro-Fenton electrochemical exfoliation method electron microscopy electronic structure emission properties environmental contaminants forced hydrolysis functionalized graphene graphene graphene analogues graphene oxide heavy metal ions hybrid structures hydrogen peroxide intercalation layered double hydroxide magnetic adsorbents microwave plasma enhanced chemical vapor deposition monolayer WS2 multilayer graphene n/a nanomaterials nanoporous carbon surface oxygen reduction reaction photoelectrocatalysis planetary ball milling polyol potassium atoms Raman spectroscopy semi-opened environment SPS synthetic strategies thiol-ene click reaction TiO2-BCN heterostructures Vickers indentations water splitting work function X-ray photoelectron spectroscopy ZnO |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Altri titoli varianti | Graphene and Other 2D Layered Nanomaterials and Hybrid Structures |
| Record Nr. | UNINA-9910566464203321 |
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Cesano Federico
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| Basel, : MDPI - Multidisciplinary Digital Publishing Institute, 2022 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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