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This Special Issue of Nanomaterials collects a series of original research articles providing new insight into the application of computational quantum physics and chemistry in research on nanomaterials. It illustrates the extension and diversity of the field and indicates some future directions. It provides the reader with an overall view of the latest prospects in this fast evolving and cross-disciplinary field

Research & information: general --- BTF --- TATB --- CL-20 --- cocrystal --- energetic materials --- shock sensitivity --- large-scale ab initio molecular dynamics simulations --- AlN --- low-dimensional material --- atomic cluster --- electronic structure --- HSE06 hybrid functional --- CsPbBr3 --- CsPb2Br5 --- solvent polarity --- CTAB --- phase transition --- high-entropy alloys --- generalized stacking fault energy --- first-principles --- interfacial energy --- surface energy --- nanoparticles --- gold --- ab initio --- molecular mechanics --- fcc Ni --- tilt Σ5(210) grain boundary --- vacancy --- Si and Al impurity --- grain boundary energy --- segregation energy --- defects binding energies --- magnetism --- ferroelectricity --- SnTe --- nanoribbon --- nanoflakes --- critical size --- density-functional theory --- thermodynamics --- silver --- decahedron --- excess energy --- ab initio calculations --- dye-sensitized solar cells --- azobenzene --- density functional theory --- topological insulators --- magnetic doping --- defects --- environment and health --- first-principles physics --- DFT --- hazardous gas --- BTF --- TATB --- CL-20 --- cocrystal --- energetic materials --- shock sensitivity --- large-scale ab initio molecular dynamics simulations --- AlN --- low-dimensional material --- atomic cluster --- electronic structure --- HSE06 hybrid functional --- CsPbBr3 --- CsPb2Br5 --- solvent polarity --- CTAB --- phase transition --- high-entropy alloys --- generalized stacking fault energy --- first-principles --- interfacial energy --- surface energy --- nanoparticles --- gold --- ab initio --- molecular mechanics --- fcc Ni --- tilt Σ5(210) grain boundary --- vacancy --- Si and Al impurity --- grain boundary energy --- segregation energy --- defects binding energies --- magnetism --- ferroelectricity --- SnTe --- nanoribbon --- nanoflakes --- critical size --- density-functional theory --- thermodynamics --- silver --- decahedron --- excess energy --- ab initio calculations --- dye-sensitized solar cells --- azobenzene --- density functional theory --- topological insulators --- magnetic doping --- defects --- environment and health --- first-principles physics --- DFT --- hazardous gas

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The book entitled “Polymer Materials in Environmental Chemistry” focuses on functionalized natural/synthetic polymeric materials and their preparation, characterization, and multidimensional applications. This book extensively appraises the research papers on the latest developments of the functionalized natural/synthetic polymers, such as the effect of functionalized polymeric additives on the degradation of aliphatic polyesters, development of nanoparticle functionalized bio-based or composite polymeric structures, water or wastewater purification, natural fibers or clay-based hybrid polymers and their applications, environmental remediation of antibiotics and dyes using polymer-based nanofibers, bio-based polymeric conjugate for the synthesis of bimetallic nanoparticles and their catalytic degradation of ecological pollutant, polymeric-grafted membranes based on ethyl cellulose for gas separation, and polyamide–laccase nanofiber membranes for the degradation of organic and antibiotics from water. Additionally, the book envisages the reviews on recent developments in the techniques and visualization of biopolymer structures and their derivatives and fabrication and characterization of polymeric nanofibers via multidimensional electrospinning techniques and their appliances in environmental pollutant removal.

Research & information: general --- Chemistry --- laccase --- polyamide 6 --- nanofibers --- wastewater treatment --- endocrine disrupting chemicals --- ethyl cellulose --- liquid --- imidazole --- membrane --- gas permeation properties --- green synthesis --- biopolymers --- bimetallic nanoparticles --- catalytic reduction --- 4-nitrophenol --- ciprofloxacin --- adsorption --- protein --- moringa seeds --- nanosilica --- two-step model --- coaxial electrospinning --- core-sheath nanofibers --- environmental remediation --- unspinnable liquid --- nanocoating --- microstructures --- nanostructures --- surface morphology --- filler dispersion --- chemical composition --- optical microscopy --- scanning electron microscopy --- transmission electron microscopy --- atomic force microscopy --- chemical quality --- sensorial quality --- chicken feet --- collagen --- health care product --- gelatin --- biofilms --- sound absorption coefficient --- impact strength --- flexural strength --- coefficient of thermal expansion --- bio-composite --- PET fibers --- Cloisite --- flame retardancy --- LOI --- TGA --- FTIR --- SEM --- WAXS --- SAXS --- graphene --- nanocomposite --- Acid Blue 129 --- silk fibers --- ZnO --- nanoflakes --- photo-degradation --- dye removal --- antibacterial efficiency --- biosafety --- flocculation --- removal efficiency --- wastewater --- biodegradable polyesters --- plant substances --- composting

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This Special Issue of Nanomaterials collects a series of original research articles providing new insight into the application of computational quantum physics and chemistry in research on nanomaterials. It illustrates the extension and diversity of the field and indicates some future directions. It provides the reader with an overall view of the latest prospects in this fast evolving and cross-disciplinary field

Research & information: general --- BTF --- TATB --- CL-20 --- cocrystal --- energetic materials --- shock sensitivity --- large-scale ab initio molecular dynamics simulations --- AlN --- low-dimensional material --- atomic cluster --- electronic structure --- HSE06 hybrid functional --- CsPbBr3 --- CsPb2Br5 --- solvent polarity --- CTAB --- phase transition --- high-entropy alloys --- generalized stacking fault energy --- first-principles --- interfacial energy --- surface energy --- nanoparticles --- gold --- ab initio --- molecular mechanics --- fcc Ni --- tilt Σ5(210) grain boundary --- vacancy --- Si and Al impurity --- grain boundary energy --- segregation energy --- defects binding energies --- magnetism --- ferroelectricity --- SnTe --- nanoribbon --- nanoflakes --- critical size --- density-functional theory --- thermodynamics --- silver --- decahedron --- excess energy --- ab initio calculations --- dye-sensitized solar cells --- azobenzene --- density functional theory --- topological insulators --- magnetic doping --- defects --- environment and health --- first-principles physics --- DFT --- hazardous gas --- n/a

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• Reference Manager
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• RefWorks (Direct export to RefWorks)

The book entitled “Polymer Materials in Environmental Chemistry” focuses on functionalized natural/synthetic polymeric materials and their preparation, characterization, and multidimensional applications. This book extensively appraises the research papers on the latest developments of the functionalized natural/synthetic polymers, such as the effect of functionalized polymeric additives on the degradation of aliphatic polyesters, development of nanoparticle functionalized bio-based or composite polymeric structures, water or wastewater purification, natural fibers or clay-based hybrid polymers and their applications, environmental remediation of antibiotics and dyes using polymer-based nanofibers, bio-based polymeric conjugate for the synthesis of bimetallic nanoparticles and their catalytic degradation of ecological pollutant, polymeric-grafted membranes based on ethyl cellulose for gas separation, and polyamide–laccase nanofiber membranes for the degradation of organic and antibiotics from water. Additionally, the book envisages the reviews on recent developments in the techniques and visualization of biopolymer structures and their derivatives and fabrication and characterization of polymeric nanofibers via multidimensional electrospinning techniques and their appliances in environmental pollutant removal.

laccase --- polyamide 6 --- nanofibers --- wastewater treatment --- endocrine disrupting chemicals --- ethyl cellulose --- liquid --- imidazole --- membrane --- gas permeation properties --- green synthesis --- biopolymers --- bimetallic nanoparticles --- catalytic reduction --- 4-nitrophenol --- ciprofloxacin --- adsorption --- protein --- moringa seeds --- nanosilica --- two-step model --- coaxial electrospinning --- core-sheath nanofibers --- environmental remediation --- unspinnable liquid --- nanocoating --- microstructures --- nanostructures --- surface morphology --- filler dispersion --- chemical composition --- optical microscopy --- scanning electron microscopy --- transmission electron microscopy --- atomic force microscopy --- chemical quality --- sensorial quality --- chicken feet --- collagen --- health care product --- gelatin --- biofilms --- sound absorption coefficient --- impact strength --- flexural strength --- coefficient of thermal expansion --- bio-composite --- PET fibers --- Cloisite --- flame retardancy --- LOI --- TGA --- FTIR --- SEM --- WAXS --- SAXS --- graphene --- nanocomposite --- Acid Blue 129 --- silk fibers --- ZnO --- nanoflakes --- photo-degradation --- dye removal --- antibacterial efficiency --- biosafety --- flocculation --- removal efficiency --- wastewater --- biodegradable polyesters --- plant substances --- composting

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Nanoparticles and nanostructured materials represent an active area of research and impact in many application fields. The recent progress obtained in the synthesis of nanomaterials, and the fundamental understanding of their properties, has driven significant advances for their technological applications. The Special Issue “Functional Nanostructures for Sensors, Optoelectronic Devices and Drug Delivery” aims to provide an overview of the current research activities in the field of nanostructured materials with a particular emphasis on their potential applications for sensors, optoelectronic devices and biomedical systems. The Special Issue includes submission of original research articles and comprehensive reviews that demonstrated or summarized significant advances in the above-mentioned research fields. The Special Issue is made up of fifteen original research articles and three comprehensive reviews covering various topics of nanostructured materials and relative characterization from fundamental research to technological applications. More than 100 scientists from universities and research institutions lent their expertize and shared their research activities to ensure the success of this Special Issue.

Research & information: general --- CeO2-SnO2 --- nanostructure --- hydrothermal --- triethylamine --- gas sensor --- cuprous oxide/silver --- nanocomposites --- hydrogen peroxide --- electrochemistry --- sensor --- carbon nanotubes --- electrical character --- aqueous two-phase extraction --- sputtering --- composite nanorods --- phase transformation --- annealing --- ZnO nanorods --- photoluminescence --- SF6 plasma --- visible emission --- red emission --- multimodal therapy --- singlet oxygen --- doxorubicin --- nitric oxide --- morphology-dependent --- α-Fe2O3 nanoparticles --- GO --- uric acid --- dopamine --- voltammetric detection --- SnS2 nanoflakes --- semiconductor --- zinc doping --- photoelectronics --- gold clusters --- plating --- porphyrin --- chirality --- SERS --- SnSe2 quantum dots --- graphene --- phototransistor --- UV-detector --- 2D-materials --- WS2 --- exfoliation --- gas sensors --- NO2 --- H2 --- cross sensitivity --- vanadium --- gallium --- garnets --- inorganic nanocrystals --- luminescence --- luminescent nanothermometry --- multifunctional fluorescent nanoparticles --- conjugated polyelectrolytes (CPEs) --- thermosensitive liposomes (TSLs) --- bioimaging --- drug carrier --- release experiments --- electrochemical sensor --- phthalocyanine --- gold nanoparticle --- catechol --- iron oxide nanoparticles --- surface chemistry --- nanotechnology --- food chemistry --- biomedicine --- environment --- applied microbiology --- white biotechnology --- green chemistry --- nanostructured materials --- diatom nanotechnology --- sensoristic devices --- drug delivery --- theranostics --- SPION --- self-assembly --- hybrid nanosystems --- integration --- smart-system --- portable --- sensors --- biodiagnostics --- optical --- optoelectronics --- electrochemical --- analytics --- organics --- nanoplasmonics --- CeO2-SnO2 --- nanostructure --- hydrothermal --- triethylamine --- gas sensor --- cuprous oxide/silver --- nanocomposites --- hydrogen peroxide --- electrochemistry --- sensor --- carbon nanotubes --- electrical character --- aqueous two-phase extraction --- sputtering --- composite nanorods --- phase transformation --- annealing --- ZnO nanorods --- photoluminescence --- SF6 plasma --- visible emission --- red emission --- multimodal therapy --- singlet oxygen --- doxorubicin --- nitric oxide --- morphology-dependent --- α-Fe2O3 nanoparticles --- GO --- uric acid --- dopamine --- voltammetric detection --- SnS2 nanoflakes --- semiconductor --- zinc doping --- photoelectronics --- gold clusters --- plating --- porphyrin --- chirality --- SERS --- SnSe2 quantum dots --- graphene --- phototransistor --- UV-detector --- 2D-materials --- WS2 --- exfoliation --- gas sensors --- NO2 --- H2 --- cross sensitivity --- vanadium --- gallium --- garnets --- inorganic nanocrystals --- luminescence --- luminescent nanothermometry --- multifunctional fluorescent nanoparticles --- conjugated polyelectrolytes (CPEs) --- thermosensitive liposomes (TSLs) --- bioimaging --- drug carrier --- release experiments --- electrochemical sensor --- phthalocyanine --- gold nanoparticle --- catechol --- iron oxide nanoparticles --- surface chemistry --- nanotechnology --- food chemistry --- biomedicine --- environment --- applied microbiology --- white biotechnology --- green chemistry --- nanostructured materials --- diatom nanotechnology --- sensoristic devices --- drug delivery --- theranostics --- SPION --- self-assembly --- hybrid nanosystems --- integration --- smart-system --- portable --- sensors --- biodiagnostics --- optical --- optoelectronics --- electrochemical --- analytics --- organics --- nanoplasmonics