12 research outputs found
Density functional study of Au (n=2-20) clusters: lowest-energy structures and electronic properties
We have investigated the lowest-energy structures and electronic properties
of the Au(n=2-20) clusters based on density functional theory (DFT) with
local density approximation. The small Au clusters adopt planar structures
up to n=6. Tabular cage structures are preferred in the range of n=10-14 and a
structural transition from tabular cage-like structure to compact
near-spherical structure is found around n=15. The most stable configurations
obtained for Au and Au clusters are amorphous instead of
icosahedral or fcc-like, while the electronic density of states sensitively
depend on the cluster geometry. Dramatic odd-even alternative behaviors are
obtained in the relative stability, HOMO-LUMO gaps and ionization potentials of
gold clusters. The size evolution of electronic properties is discussed and the
theoretical ionization potentials of Au clusters compare well with
experiments.Comment: 6 pages, 7 figure
Running injuries and hamstring and quadriceps weakness and balance: A case‐control study in male runners
Self-assembled Co3O4 nanoplatelets into micro-spheres via a simple solvothermal route: Structural and electrochemical properties
Self-assembled Co3O4 nanoplatelets into micro-spheres via a simple solvothermal route: Structural and electrochemical properties
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The effect of density compensation in species-poor plant communities of mainland areas (on the example of the Western Caucasus)
Mechanistic principles and applications of resonance energy transfer
Resonance energy transfer is the primary mechanism for the migration of electronic excitation in the condensed phase. Well-known in the particular context of molecular photochemistry, it is a phenomenon whose much wider prevalence in both natural and synthetic materials has only slowly been appreciated, and for which the fundamental theory and understanding have witnessed major advances in recent years. With the growing to maturity of a robust theoretical foundation, the latest developments have led to a more complete and thorough identification of key principles. The present review first describes the context and general features of energy transfer, then focusing on its electrodynamic, optical, and photophysical characteristics. The particular role the mechanism plays in photosynthetic materials and synthetic analogue polymers is then discussed, followed by a summary of its primarily biological structure determination applications. Lastly, several possible methods are described, by the means of which all-optical switching might be effected through the control and application of resonance energy transfer in suitably fabricated nanostructures.Key words: FRET, Förster energy transfer, photophysics, fluorescence, laser