Nanodiamond Particles Luminiscence; Density Functional Calculations
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68407700%3A21340%2F11%3A00185602" target="_blank" >RIV/68407700:21340/11:00185602 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
Nanodiamond Particles Luminiscence; Density Functional Calculations
Original language description
We used density functional theory and modeled various processes and states influencing the luminescence of ND particles. We worked with clusters of different sizes and/or charge states (NV- and NV0), surface terminations (hydrogen, carbonyl, carboxyl, hydroxyl and amine groups) and containing either single substituted positively charged nitrogen (N+ center) or both N+ center and NV- color center. Because of the fact that during excitation the singlet-triplet states transition can influence the NV- luminescence the singlet states positions in energy scale were also calculated. We also studied how luminescence conditions (excitation energies) depend on cluster size both for NV centers containing and defect free clusters (with the same terminations). Analogously to our previous work systems under study were modeled by DFT based calculations using Gaussian 09 program package.
Czech name
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Czech description
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Classification
Type
O - Miscellaneous
CEP classification
BM - Solid-state physics and magnetism
OECD FORD branch
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Result continuities
Project
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Continuities
S - Specificky vyzkum na vysokych skolach
Others
Publication year
2011
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů