Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Electronic properties, doping and defects in chlorinated silicon
  nanocrystals   Silicon nanocrystals with diameters between 1 and 3 nm and surfaces
passivated by chlorine or a mixture of chlorine and hydrogen were modeled using
density functional theory, and their properties compared with those of fully
hydrogenated nanocrystals. It is found that fully and partially chlorinated
nanocrystals are stable, and have higher electron affinity, higher ionization
energy and lower optical absorption energy threshold. As the hydrogenated
silicon nanocrystals, chlorinated silicon nanocrystals doped with phosphorus or
boron require a high activation energy to transfer an electron or hole,
respectively, to undoped silicon nanocrystals. The electronic levels of surface
dangling bonds are similar for both types of surface passivation, although in
the chlorinated silicon nanocrystals some fall outside the narrower energy gap.

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The categories of this paper are: mtrl-th
6
The categories of this paper are: astro-ph
28
The categories of this paper are: alg-geom
22
The categories of this paper are: chao-dyn
2
The categories of this paper are: math
24
The categories of this paper are: dg-ga
11
The categories of this paper are: hep-lat
1
The categories of this paper are: cs
10
The categories of this paper are: q-bio
23
The categories of this paper are: solv-int
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The categories of this paper are: comp-gas
17
The categories of this paper are: q-fin
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The categories of this paper are: funct-an
31
The categories of this paper are: ao-sci
26
The categories of this paper are: bayes-an
19
The categories of this paper are: eess