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Amine-capped silicon quantum dots
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10.1063/1.2841674
/content/aip/journal/apl/92/5/10.1063/1.2841674
http://aip.metastore.ingenta.com/content/aip/journal/apl/92/5/10.1063/1.2841674

Figures

Image of FIG. 1.
FIG. 1.

Simulated IR spectrum of , , and .

Image of FIG. 2.
FIG. 2.

Calculated isosurfaces of HOMO and LUMO of in ground-state (GS) and excited-state (ES) configurations. The Si, H, and N atoms are cyan, white, and blue, respectively. The isosurfaces are chosen at 20% of the maximum value.

Image of FIG. 3.
FIG. 3.

Calculated absorption and emission spectra of , , , and . The units on the axis are arbitrary. 50 roots were calculated and the peaks were broadened using a Gaussian line shape with a line half width at half maximum of 0.3.

Tables

Generic image for table
Table I.

The energies of HOMO and LUMO, and energy gaps between HOMO and LUMO, the absorption and emission energies of SiQDs with different diameters (denoted by in nanometers) in their ground and first singlet excited states.

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/content/aip/journal/apl/92/5/10.1063/1.2841674
2008-02-07
2014-04-25
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Amine-capped silicon quantum dots
http://aip.metastore.ingenta.com/content/aip/journal/apl/92/5/10.1063/1.2841674
10.1063/1.2841674
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