Simulation and Modeling of Nanomaterials

This Special Issue focuses on computational detailed studies (simulation, modeling, and calculations) of the structures, main properties, and peculiarities of the various nanomaterials (nanocrystals, nanoparticles, nanolayers, nanofibers, nanotubes, etc.) based on various elements, including organic...

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Format:	Online
Idioma:	anglès
Publicat:	MDPI - Multidisciplinary Digital Publishing Institute 2022
Matèries:	single nanowires silicon dual shells off-resonance absorption photocurrent magnetism transition-metal oxide clusters DFT calculations structure electronic properties LGD theory polarization nanoscale ferroelectrics kinetics homogeneous switching computer simulation fitting diphenylalanine peptide nanotubes self-assembly water molecules DFT molecular modelling semi-empirical methods chirality Ir-modified MoS2 decomposition components of SF6 adsorption and sensing atomistic simulation core–shell bi-magnetic nanoparticles Monte Carlo simulation interfacial exchange terahertz graphene plasmons Drude absorption polarization conversion yield surface plastic flow crystal plasticity polycrystalline aluminum dipeptides helical structures molecular modeling dipole moments tunnel junction machine learning III-nitride hydroxyapatite modeling density functional theory defects vacancies substitutions structural and optical properties band gap electronic density of states nanomaterials plasmon-induced transparency strontium titanate slow light iron doping hydroxyapatite bioceramics hybrid density functional X-ray absorption spectroscopy phenylalanine protein secondary structure optoelectronic devices nanostructured polymer film antireflection coating finite-difference time-domain method ferroelectrics heterostructures domains negative capacitance thema EDItEUR::G Reference, Information and Interdisciplinary subjects::GP Research and information: general thema EDItEUR::P Mathematics and Science::PH Physics
Accés en línia:	ONIX_20220812_9783036547398_60
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Simulation and Modeling of Nanomaterials

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