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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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Amide Bond Activation / Michal Szostak
| Amide Bond Activation / Michal Szostak |
| Autore | Szostak Michal |
| Pubbl/distr/stampa | MDPI - Multidisciplinary Digital Publishing Institute, 2019 |
| Descrizione fisica | 1 electronic resource (466 p.) |
| Soggetto topico | Chemistry |
| Soggetto non controllato |
N-heterocyclic carbene
non planar amide ruthenium (Ru) physical organic chemistry gemcitabine prodrug pyramidal amides bridged sultams catalysis dipeptides N-(1-naphthyl)acetamide C-N ? bond cleavage steric effects peptide bond cleavage transition-metal-free palladium N-heterocyclic carbenes (NHCs) addition reaction C–O activation rhodium metal complexes carbanions thioamidation amide bond intramolecular catalysis antiviral activity additivity principle pre-catalysts C–N bond cleavage bridged lactams C–H acidity arynes twisted amides organic synthesis amination Suzuki-Miyaura tert-butyl cyclopentadienyl complexes C-S formation enzymes DFT study sulfonamide bond N HERON reaction primaquine entropy amide activation amidation synthesis amide hydrolysis carbonylicity amide bond activation amide bond resonance aminosulfonylation molecular dynamics model compound in situ amide homogeneous catalysis heterocycles anomeric effect multi-component coupling reaction kinetic excited state C–H bond cleavage palladium catalysis amides thiourea formylation alkynes cis/trans isomerization amide C–N bond activation intein C-H functionalization succindiamide amide bonds crown ether aminoacylation directing groups cytostatic activity reaction thermodynamics acyl transfer transition metals N-dimethylformamide DMAc acylative cross-coupling C-H/C-N activation nickel catalysis antibacterial screening sodium aryl thioamides Winkler-Dunitz parameters catalyst N-dimethylacetamide base-catalyed hydrolysis nitrogen heterocycles cross-coupling insertion amidicity nitro-aci tautomerism activation carbonylation transamidation amine distortion Pd-catalysis rotational barrier energy hypersensitivity N–C activation metabolic stability [2+2+2] annulation twisted amide protease cyanation amide resonance trialkylborane catalysts biofilm eradication pharmacokinetics pancreatic cancer cells DMF aryl esters Michael acceptor fumardiamide water solvation ester bond activation cyclization nuclear magnetic resonance secondary amides reaction mechanism density functional theory density-functional theory amino acid transporters |
| ISBN |
9783039212040
3039212044 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910346843703321 |
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Szostak Michal
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| MDPI - Multidisciplinary Digital Publishing Institute, 2019 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Calixarene Complexes: Synthesis, Properties and Applications
| Calixarene Complexes: Synthesis, Properties and Applications |
| Autore | Berberan-Santos Mario |
| 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 |
alkylammonium hydrochlorides
anion anion receptor antibiotic anticancer antimicrobial ball milling barfate salts biofilm inhibition calix[3]arenes calix[4]arene calix[4]tubes calixarene calixarene-analogous metacyclophanes calixarene-like structure calixarenes chiral axles chiral recognition chiral wheels chirality conventional synthesis copper crystal structure density functional theory DFT calculations dihomooxacalix[4]arenes ditopic receptors electronic absorption and fluorescence studies fluorescence fluorescence studies fungicide hierarchical control host-guest chemistry inclusion complex inherent chirality lanthanides lifetime measurements metacyclophanes metal complex metallo-porphyrins microwave irradiation naphthyl(thio)urea anion receptors nitronate NMR spectroscopy NMR studies noncovalent synthesis phthalimide derivatives pillararene polyoxometalates pseudorotaxane quantum yields resorcinarene sensor sensors supramolecular thiosemicarbazone threading UV-Vis absorption studies UV-vis studies X-ray diffraction X-ray structure |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Altri titoli varianti | Calixarene Complexes |
| Record Nr. | UNINA-9910557365803321 |
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Berberan-Santos Mario
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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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Computational Methods for Polymers
| Computational Methods for Polymers |
| Autore | Soroush Masoud |
| Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2020 |
| Descrizione fisica | 1 online resource (320 p.) |
| Soggetto topico | History of engineering and technology |
| Soggetto non controllato |
additive manufacturing
batch process modeling and control complexity of structure continuous stirred-tank reactor copolymerization data-driven parameter estimation degree of branching dendrimers density functional theory design of experiments DFT droplet impact Eccentric connectivity index electronic effects failure modes free-radical polymerization gas phase global sensitivity analysis high-temperature polymerization hyperbranched inhibitors injection molding insertion kinetics irregularity indices irregularity measure kinetics measurements with delay method of moments methyl acrylate model predictive control modeling modularity molecular graph molecular topological indices Monte Carlo simulation multi-rate observer n-butyl acrylate n/a nanostar dendrimer nonlinear sampled-data system NS1[p] NS2[p] NS3[p] olefin olefin capture olefin copolymerization operability parameter fitting phenolic PLP-SEC PolyEThyleneAmidoAmine (PETAA) dendrimer polymer processing polymerization polyolefin synthesis post-metallocene process intensification process modeling and simulation radius of gyration RAFT polymerization rapid tooling reactivity ratio estimation reactivity ratios retrospective cost model refinement algorithm rotational molding salan catalysts span length stable nitroxide radicals styrene subspace identification terpolymerization thermal polymerization viscoelasticity volume of fluid method |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910557486203321 |
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Soroush Masoud
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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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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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Coordination Chemistry of Silicon
| Coordination Chemistry of Silicon |
| Autore | Inoue Shigeyoshi |
| Pubbl/distr/stampa | MDPI - Multidisciplinary Digital Publishing Institute, 2019 |
| Descrizione fisica | 1 online resource (225 p.) |
| Soggetto topico | Chemistry |
| Soggetto non controllato |
?-chloro-?-hydrooligosilane
?-electron systems N-heterocyclic carbene N-heterocyclic carbenes N-heterocyclic carbines N-Heterocyclic tetrylene 29Si NMR spectroscopy 2-silylpyrrolidines adsorption AIM Baird's rule bond activation bonding analysis bridging silylene ligand bromosilylenes cluster computation computational chemistry condensation cyclic organopolysilane dehydrobromination dehydrogenative alkoxylation density functional theory DFT digermacyclobutadiene digermene disilanylene polymer disilene disiloxane tetrols distorted coordination dye-sensitized solar cell excited state aromaticity functionalization germanethione germanium germathioacid chloride germylene host-guest chemistry hydrido complex hydrogen bonding hydrogen bonds intermetallic bond isocyanide isomerization ligand-exchange reaction main group coordination chemistry mechanistic insights molecular cage molecular orbital analysis nanoparticle organosilicon oxidative addition palladium photoreaction Photostability platinum primary silane reductant ruthenium salt-free Si-Cl activation silanetriols silicon silicon cluster silicon surfaces siliconoid siloxanes silsesquioxanes silylene silyliumylidenes small molecule activation stereochemistry subvalent compounds supramolecular chemistry surface modification template TiO2 titanium X-ray crystallography X-ray diffraction |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910346672303321 |
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Inoue Shigeyoshi
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| MDPI - Multidisciplinary Digital Publishing Institute, 2019 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Cornerstones in Contemporary Inorganic Chemistry
| Cornerstones in Contemporary Inorganic Chemistry |
| Autore | Gregory Duncan |
| Pubbl/distr/stampa | Basel, : MDPI - Multidisciplinary Digital Publishing Institute, 2022 |
| Descrizione fisica | 1 electronic resource (342 p.) |
| Soggetto topico |
Research & information: general
Chemistry Inorganic chemistry |
| Soggetto non controllato |
cyanoguanidine
silver crystal structure chemical bonding CuII pyridine amides pyrazine amide amino benzamides EPR spectroscopy lanthanides Schiff base synthetic strategies single-molecule magnets Atomic Layer Deposition Ni catalyst reforming catalyst thermodynamics metallopharmaceuticals copper bioinorganic chemistry medicinal inorganic chemistry reactive oxygen species metal-carbonyl complexes [FeFe]-hydrogenases density functional theory time-dependent DFT organometallic photochemistry crystalline borosilicate actinides supercritical hydrothermal synthesis waste forms thorium rhenium ruthenium metal-metal bonds uranium ceria hydrothermal catalysis nanomaterials crystallisation 4,2':6',4"-terpyridine 3,2':6',3"-terpyridine coordination polymer isomers lithium potassium Nacnac β-diketiminate tricyclohexylphenyl steric bulk silver complexes permanganates perchlorates perrhenate pyridine structure spectroscopy thermal behavior heterogenous catalyst metal-organic framework (MOF) olefin epoxidation carbon dioxide cycloaddition f-element lanthanide actinide multidentate ligand macrocycle ammonothermal synthesis fluoride aluminum speciation equilibria thermodynamic stability peptides multivariate linear regression poisoning effect of polar monomers Brookhart-type catalysts Zintl clusters X-ray crystallography Density Functional Theory |
| ISBN |
9783036557052
3036557059 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910674373303321 |
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Gregory Duncan
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| Basel, : MDPI - Multidisciplinary Digital Publishing Institute, 2022 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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