Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: First-principles atomistic Wulff constructions for gold nanoparticles   We present a computational study for the equilibrium shape of gold
nanoparticles. By linking extensive quantum-mechanical calculations, based on
Density-Functional Theory (DFT) to Wulff construction, we predict equilibrium
shapes that are in good agreement with experimental observa- tions. We discuss
the effect of the interactions between a nanoparticle and the encapsulating
material on the equilibrium shape. As an example, we calculate adsorption of CO
on several different Au(hkl) and use the results to explain the experimentally
observed shape change of Au nanoparticles.

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The categories of this paper are: funct-an
34
The categories of this paper are: chem-ph
23
The categories of this paper are: solv-int
22
The categories of this paper are: chao-dyn
30
The categories of this paper are: q-alg
6
The categories of this paper are: astro-ph
13
The categories of this paper are: quant-ph
33
The categories of this paper are: plasm-ph
27
The categories of this paper are: comp-gas
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The categories of this paper are: alg-geom
17
The categories of this paper are: q-fin
12
The categories of this paper are: nucl-th
31
The categories of this paper are: ao-sci
15
The categories of this paper are: nucl-ex
19
The categories of this paper are: eess
37
The categories of this paper are: supr-con