Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Chemical functionalization on planar polysilane and graphane   Two dimensional materials are important for electronics applications. A
natural way for electronic structure engineering on two dimensional systems is
on-plane chemical functionalization. Based on density functional theory, we
study the electronic structures of fluorine substituted planar polysilane and
graphane. We find that carbon and silicon present very different surface
chemistry. The indirect energy gap of planar polysilane turns to be direct upon
fluorine decoration, and the gap width is mainly determined by fluorine
coverage regardless of its distribution on the surface. However, electronic
structure of fluorine doped graphane is very sensitive to the doping
configuration, due to the competition between antibonding states and
nearly-free-electron (NFE) states. With specific fluorine distribution pattern,
zero-dimensional and one-dimensional NFE states can be obtained. We have also
studied the chemical modification with -OH or -NH$_2$ group. Carbon seems to be
too small to accommodate big functional groups on its graphane skeleton with a
high concentration.

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The categories of this paper are: hep-ph
27
The categories of this paper are: comp-gas
24
The categories of this paper are: dg-ga
31
The categories of this paper are: ao-sci
23
The categories of this paper are: solv-int
19
The categories of this paper are: eess
13
The categories of this paper are: quant-ph
1
The categories of this paper are: cs
26
The categories of this paper are: bayes-an
33
The categories of this paper are: plasm-ph
3
The categories of this paper are: physics
32
The categories of this paper are: atom-ph
11
The categories of this paper are: hep-lat
34
The categories of this paper are: chem-ph
16
The categories of this paper are: stat
14
The categories of this paper are: math-ph