preface
about the editor
contributors
1 atomistic simulation of hierarchical nanostructured materials for optical chemical sensing
1 introduction
2 hierarchical nanomaterials: construction and organization principles; materials construction by the bottom-up principle
2.1 hierarchical nanomaterials for nanophotonics and their sensing potentialities
2.2 space-time scale hierarchy and the structure of nanomaterials for nanophotonics
2.3 structure of nanomaterials for optical chemical sensors: from a molecule to a supramolecular center, nanoparticle,and nanomaterial
3 hierarchy ofatomistic simulation methods corresponding to scale hierarchy
4 atomistic multiscale simulation of hierarchical nanomaterials for optical chemical sensors: step by step
4.1 supramolecular level: calculations of molecular interactions between gas-phase analyte molecules and simple substrate models
4.2 supramolecular level: dft calculations of the 9-diphenylaminoacridine (9-dpaa) fluorescent indicator and its interactions with analyte molecules
4.3 multiscale level: md/dft slab modeling of the adsorption of simple organic and inorganic molecules on an amorphous silica surface
4.4 multiscale level: md/dft cluster modeling of a 9-dpaa/ silica rc and its interaction with small analyte molecules
4.5 multiscale level: md/dft cluster modeling of the effect of analyte molecules on the absorption and fluorescence spectra of a 9-dpaa/silica rc
4.6 multiscale level: modeling the structure and spectra of an rc based on the nile red dye adsorbed on the surface of polystyrene
5 prospects and outlook
acknowledgments
references
2 self-assembling and modeling of sensing layers: photonic crystals
1 introduction
2 photonic crystals
3 methods of modeling spontaneous emission modification
3.1 correspondence principle
3.2 dipole near a surface
3.3 modeling the modification of spontaneous emission based on the finite-difference time-domain method
4 conclusion
references
3 optical sensing by metal oxide nanostructures: phenomenology and basic properties
1 introduction
2 optochemical sensing by oxide materials: methods not based on photoluminescence
2.1 approaches to optical sensing
2.2 oxide-based optochemical sensing using absorbance
responses
4 simulation and modeling of hydrogen leak sensors based on optical fiber gratings
5 simulation and modeling of surface plasmon resonance-based fiber optical sensors
index