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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
Choose an application
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
Choose an application
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
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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Reprints of Polymers Special Issue entitled "Polymer films for photovoltaic applications", which covers all fields related to polymer films for photovoltaic applications, but special attention will be given to the following aspects:- The synthesis and suitable modification of polymer structure, to obtain polymer thin films for PV devices;- The influence of film deposition (thermal vacuum evaporation (TVE), chemical vapor deposition (CVD), spin coating, spray, etc.) on the properties of polymer films;- The thermo-optical properties of polymer thin films and blends of polymer films, as potential parts of PV systems;- The influence of doping or protonation of polymer thin films and blend polymer films on their properties;- Polymer thin films as active layers in PV solar cells—correlation of chemical structure and PV properties;- BHJ solar cells with polymer blends films—the choice of blend film composition to obtain the best PV parameters.
Research & information: general --- Chemistry --- Organic chemistry --- azomethines --- supramolecular organization --- organic thin films --- polymer:fullerene blends --- organic photovoltaics --- memory device --- organic semiconductors --- poly-N-epoxy-propylcarbazole --- tera-cyanoquino-dimethane --- CsPbBr3 perovskite QDs --- amplified spontaneous emission (ASE) --- light amplification --- surface passivation --- photostability --- 3D helicoidal architecture --- fiber-based polymer composite --- impact resistance --- lightweight photovoltaics (PV) --- integrated PV rooftop --- luminescent solar concentrator --- polymer matrix --- organic fluorophore --- intramolecular charge transfer --- light harvesting --- dye --- organic solar cells --- ellipsometry --- ternary organic films --- morphology examination --- micro --- perovskite --- solar cell --- 3D printing --- fused deposition modeling --- artificially light-harvesting --- luminescent solar concentrators --- molecular alignability prediction --- redirecting diffuse light --- polymer:fullerene blend films --- iodine doping --- annealing effect --- absorption edge parameters --- exciton bandwidth --- structural changes --- BHJ solar cells --- polymer --- bulk heterojunction --- PEDOT:PSS --- PTB7:PC70BM --- PFN-Br --- SCAPS 1D --- encapsulants for PV modules --- lamination process --- EVA --- POE --- power conversion efficiency --- hybrid perovskite --- tandem structure --- photovoltaics --- commercialization --- molecular modeling --- stretching process --- polymers --- mechanical deformation --- density functional theory --- crosslinking kinetics --- dynamic mechanical analysis --- activation energy --- indoloquinoxaline --- low-cost polymer donor --- wide-bandgap polymer --- polymer solar cells --- dye-sensitized solar cells --- redox mediator --- solid polymer electrolytes --- succinonitrile --- electrical conductivity --- bulk-heterojunction solar cells --- perovskite solar cells --- thin layers --- azomethines --- supramolecular organization --- organic thin films --- polymer:fullerene blends --- organic photovoltaics --- memory device --- organic semiconductors --- poly-N-epoxy-propylcarbazole --- tera-cyanoquino-dimethane --- CsPbBr3 perovskite QDs --- amplified spontaneous emission (ASE) --- light amplification --- surface passivation --- photostability --- 3D helicoidal architecture --- fiber-based polymer composite --- impact resistance --- lightweight photovoltaics (PV) --- integrated PV rooftop --- luminescent solar concentrator --- polymer matrix --- organic fluorophore --- intramolecular charge transfer --- light harvesting --- dye --- organic solar cells --- ellipsometry --- ternary organic films --- morphology examination --- micro --- perovskite --- solar cell --- 3D printing --- fused deposition modeling --- artificially light-harvesting --- luminescent solar concentrators --- molecular alignability prediction --- redirecting diffuse light --- polymer:fullerene blend films --- iodine doping --- annealing effect --- absorption edge parameters --- exciton bandwidth --- structural changes --- BHJ solar cells --- polymer --- bulk heterojunction --- PEDOT:PSS --- PTB7:PC70BM --- PFN-Br --- SCAPS 1D --- encapsulants for PV modules --- lamination process --- EVA --- POE --- power conversion efficiency --- hybrid perovskite --- tandem structure --- photovoltaics --- commercialization --- molecular modeling --- stretching process --- polymers --- mechanical deformation --- density functional theory --- crosslinking kinetics --- dynamic mechanical analysis --- activation energy --- indoloquinoxaline --- low-cost polymer donor --- wide-bandgap polymer --- polymer solar cells --- dye-sensitized solar cells --- redox mediator --- solid polymer electrolytes --- succinonitrile --- electrical conductivity --- bulk-heterojunction solar cells --- perovskite solar cells --- thin layers
Choose an application
Reprints of Polymers Special Issue entitled "Polymer films for photovoltaic applications", which covers all fields related to polymer films for photovoltaic applications, but special attention will be given to the following aspects:- The synthesis and suitable modification of polymer structure, to obtain polymer thin films for PV devices;- The influence of film deposition (thermal vacuum evaporation (TVE), chemical vapor deposition (CVD), spin coating, spray, etc.) on the properties of polymer films;- The thermo-optical properties of polymer thin films and blends of polymer films, as potential parts of PV systems;- The influence of doping or protonation of polymer thin films and blend polymer films on their properties;- Polymer thin films as active layers in PV solar cells—correlation of chemical structure and PV properties;- BHJ solar cells with polymer blends films—the choice of blend film composition to obtain the best PV parameters.
azomethines --- supramolecular organization --- organic thin films --- polymer:fullerene blends --- organic photovoltaics --- memory device --- organic semiconductors --- poly-N-epoxy-propylcarbazole --- tera-cyanoquino-dimethane --- CsPbBr3 perovskite QDs --- amplified spontaneous emission (ASE) --- light amplification --- surface passivation --- photostability --- 3D helicoidal architecture --- fiber-based polymer composite --- impact resistance --- lightweight photovoltaics (PV) --- integrated PV rooftop --- luminescent solar concentrator --- polymer matrix --- organic fluorophore --- intramolecular charge transfer --- light harvesting --- dye --- organic solar cells --- ellipsometry --- ternary organic films --- morphology examination --- micro --- perovskite --- solar cell --- 3D printing --- fused deposition modeling --- artificially light-harvesting --- luminescent solar concentrators --- molecular alignability prediction --- redirecting diffuse light --- polymer:fullerene blend films --- iodine doping --- annealing effect --- absorption edge parameters --- exciton bandwidth --- structural changes --- BHJ solar cells --- polymer --- bulk heterojunction --- PEDOT:PSS --- PTB7:PC70BM --- PFN-Br --- SCAPS 1D --- encapsulants for PV modules --- lamination process --- EVA --- POE --- power conversion efficiency --- hybrid perovskite --- tandem structure --- photovoltaics --- commercialization --- molecular modeling --- stretching process --- polymers --- mechanical deformation --- density functional theory --- crosslinking kinetics --- dynamic mechanical analysis --- activation energy --- indoloquinoxaline --- low-cost polymer donor --- wide-bandgap polymer --- polymer solar cells --- dye-sensitized solar cells --- redox mediator --- solid polymer electrolytes --- succinonitrile --- electrical conductivity --- bulk-heterojunction solar cells --- perovskite solar cells --- thin layers
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