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Catalytic Transformation of Renewables (Olefin, Bio-sourced, et. al)
| Catalytic Transformation of Renewables (Olefin, Bio-sourced, et. al) |
| Autore | Dimitratos Nikolaos |
| Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 |
| Descrizione fisica | 1 online resource (248 p.) |
| Soggetto topico |
Research & information: general
Technology: general issues |
| Soggetto non controllato |
2 methyl-furan
2,5-furandicarboxylic acid 5-(hydroxymethyl)furfural ab initio acid-base characterization adiabatic reactor alkylation base-free bimetallic nanoparticles bio-based platform chemicals biocatalysis biomass biomass conversion capping agent catalysis catalyst design catalytic hydrogen transfer reduction cellobiose chemical modification Co/SBA-15 colloidal synthesis cross-flow autohydrolysis diffusion dry gel conversion embedded catalysts Eucalyptus globulus wood Fischer-Tropsch synthesis furan-2-acrolein furans furfural furoic acid glucose glycosidation gold gold catalysis green oxidation H-ZSM-5 hemicellulose-derived products HMF hydrodeoxygenation hydrogenation hydrolytic hydrogenation hydrotalcite in-situ synthesis industrial design iron isomorphous substitution kinetic modeling magnesium oxide MCM-41 methanol methylbutynol test reaction MFI zeolite MPV reaction multiscale modeling n/a nanoparticles nickel phosphide oxidation oxidative condensation palladium particle size particle sizes Pd-based catalysts pore length pore size reduction selective oxidation silica sources Sn-Beta zeolite sol-immobilization solid acid solid base sorbitol whole cells zeolite catalysis zeolites |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Altri titoli varianti | Catalytic Transformation of Renewables |
| Record Nr. | UNINA-9910557678203321 |
Dimitratos Nikolaos
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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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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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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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Modeling and Experimental Characterization of Nanocomposite Materials
| Modeling and Experimental Characterization of Nanocomposite Materials |
| Autore | Hadavinia Homayoun |
| Pubbl/distr/stampa | MDPI - Multidisciplinary Digital Publishing Institute, 2020 |
| Descrizione fisica | 1 online resource (130 p.) |
| Soggetto topico | History of engineering and technology |
| Soggetto non controllato |
3D fiber-metal laminates
ab initio boron nitride honeycomb carbon nanotube CNT agglomeration CNTs/epoxy nanocomposites coarse-grained model cohesive element critical yield strength delamination buckling delamination propagation disorder elastic modulus elasticity equivalent fiber Fe-Al Fe3Al graphene nanoplatelets graphene/Fe composite hardness impact buckling interface interface force fields interfaces magnetism mechanical property molecular dynamics molecular dynamics simulation nanocomposites nanoindentation piezoelectric property pressure ScN stability temperature effect YN |
| ISBN | 3-03928-633-1 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910404089903321 |
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Hadavinia Homayoun
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| MDPI - Multidisciplinary Digital Publishing Institute, 2020 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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New Advances in High-Entropy Alloys
| New Advances in High-Entropy Alloys |
| Autore | Zhang Yong |
| Pubbl/distr/stampa | Basel, Switzerland, : MDPI - Multidisciplinary Digital Publishing Institute, 2021 |
| Descrizione fisica | 1 online resource (652 p.) |
| Soggetto topico | Research & information: general |
| Soggetto non controllato |
(AlCrTiZrV)-Six-N films
(CoCrFeNi)100−xMox alloys ab initio additive manufacturing alloy design alloys design annealing annealing treatment atom probe tomography atomic-scale unstable AZ91D magnesium alloy bcc bulk metallic glass CALPHAD CCA CCAs cluster expansion cluster variation method coating coherent microstructure complex concentrated alloys complex stress field composite composition scanning compositionally complex alloy compositionally complex alloys compressive properties configuration entropy conventional alloys corrosion corrosion behavior creep mechanism CrFeCoNi(Nb,Mo) Curie temperature deformation deformation and fracture deformation behaviors deformation mechanism density functional theory diamond differential scanning calorimetry (DSC) elastic property electron microscopy elemental addition elemental partitioning elemental powder elevated-temperature yield strength elongation prediction entropy eutectic dendrites first-principles calculation first-principles calculations flow serration gamma double prime nanoparticles graded material grain refinement Hall-Petch (H-P) effect hardening behavior hardness HEA HEAs heat-softening resistance hierarchical nanotwins high entropy alloy high entropy alloys high pressure high-entropy alloy high-entropy alloy coating high-entropy alloys high-entropy alloys (HEAs) high-entropy ceramic high-entropy film high-entropy films high-pressure torsion high-temperature structural alloys immiscible alloys in situ X-ray diffraction interface interstitial phase ion irradiation kinetics laser cladding laser metal deposition lattice constants lattice distortion lightweight alloys liquid phase separation low-activation alloys low-activation high-entropy alloys (HEAs) magnetic properties magnetic property matrix formulation maximum entropy mechanical alloying mechanical behaviors mechanical characterization mechanical properties mechanical property medium entropy alloy medium entropy alloys, mechanical properties metal matrix composites microhardness microstructural evolution microstructure microstructures miscibility gaps monte carlo MPEAs multi-principal element alloys multicomponent multicomponent alloys nanocomposite structure nanocrystalline nanocrystalline materials nanodisturbances nanoprecipitates nanoscaled high-entropy alloys partial recrystallization phase composition phase constituent phase constitution phase evolution phase stability phase structures phase transformation phase transformations phase transition plasticity plasticity methods polymorphic transition powder metallurgy precipitation precipitation kinetics recrystallization refractory high entropy alloys refractory high-entropy alloys scandium effect serration behavior shear band sodium chloride solid solution strengthening effect solid-solution solid-solution alloys solid-state diffusion solidification spark plasma sintering specific heat sputtering stacking-fault energy strain rate sensitivity strengthening strengthening mechanisms structural metals sulfuric acid tensile creep behavior tensile strength thermal expansion thermodynamic integration thermoelectric properties thin films transmission electron microscopy volume swelling wear wear behaviour welding |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910557430203321 |
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Zhang Yong
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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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Pressure-Induced Phase Transformations (Volume II)
| Pressure-Induced Phase Transformations (Volume II) |
| Pubbl/distr/stampa | MDPI - Multidisciplinary Digital Publishing Institute, 2023 |
| Descrizione fisica | 1 online resource (306 p.) |
| Soggetto topico |
Physics
Research and information: general |
| Soggetto non controllato |
ab initio
ab initio calculations alpha-epsilon antiferroelectric band gap charge density wave chemical components chemical substitution copper halides corresponding states CrVO4-type structure density functional theory di-p-tolyl disulfide DyScO3 elastic anomalies elasticity electronic properties electronic transition elemental solids enthalpy difference components equation of state ferroelectric FeVO4 under pressure first principles first principles calculations first-principles garnet group VB transition metals hardening-like effect hidden polymorph high pressure high pressure and high temperature high pressure diffraction high-pressure DFT high-pressure effects high-pressure polymorph high-pressure studies HPHT diamond inclusion infrared spectroscopy iron kinetic lines LaAgSb2 LaAuSb2 lattice dynamics luminescence mechanical properties metastability molecular crystals molecular dynamics simulations niobate nonequilibrium conditions phase boundaries phase diagram phase relations phase stability phase transformation phase transition phase transitions phonons PL mapping plasticity pressure Raman Raman modes Raman scattering Raman spectroscopy ramp rare earth orthophosphate rare earth tantalates relative stability resistivity shock wave stability structural transition synchrotron radiation tensile strain topological analysis of bonds vibrational properties Wigner-Seitz radii X-ray diffraction |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Altri titoli varianti | Pressure-Induced Phase Transformations |
| Record Nr. | UNINA-9910743272903321 |
| MDPI - Multidisciplinary Digital Publishing Institute, 2023 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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Thermochemistry and Kinetics for the Oxidative Degradation of Dibenzofuran and Precursors
| Thermochemistry and Kinetics for the Oxidative Degradation of Dibenzofuran and Precursors |
| Autore | Sebbar Nadia |
| Pubbl/distr/stampa | KIT Scientific Publishing, 2006 |
| Descrizione fisica | 1 online resource (VIII, 219 p. p.) |
| Soggetto topico | Chemistry |
| Soggetto non controllato |
ab initio
DFT Dibenzofuran Dioxin Groupe additivity Isodesmic reactions Kinetics QRRK Thermochemistry Transition state theory |
| ISBN | 1000005428 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910346944403321 |
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Sebbar Nadia
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| KIT Scientific Publishing, 2006 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
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