Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Influence of surface restructuring on the activity of SrTiO3
  photoelectrodes for photocatalytic hydrogen reduction   Perovskite photoelectrodes are being extensively studied in search for
photocatalytic materials that can produce hydrogen through water splitting. The
solar-to-hydrogen efficiency of these materials is critically dependent on the
electrochemical state of their surface. Here, we develop an embedded
quantum-mechanical approach using the self-consistent continuum solvation
(SCCS) model to predict the relation between band alignment, electrochemical
stability, and photocatalytic activity taking into account the long-range
polarization of the semiconductor electrode under electrical bias. Using this
comprehensive model, we calculate the charge-voltage response of various
reconstructions of a solvated SrTiO3 surface, revealing that interfacial charge
trapping exerts primary control on the electrical response and surface
stability of the photoelectrode. Our results provide a detailed molecular-level
interpretation of the enhanced photocatalytic activity of SrTiO3 upon
voltage-induced restructuring of the semiconductor-solution interface.

13
The categories of this paper are: quant-ph
29
The categories of this paper are: funct-an
2
The categories of this paper are: math
34
The categories of this paper are: chem-ph
30
The categories of this paper are: q-alg
33
The categories of this paper are: plasm-ph
25
The categories of this paper are: patt-sol
28
The categories of this paper are: alg-geom
36
The categories of this paper are: cmp-lg
15
The categories of this paper are: nucl-ex
6
The categories of this paper are: astro-ph
16
The categories of this paper are: stat
20
The categories of this paper are: acc-phys
22
The categories of this paper are: chao-dyn
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The categories of this paper are: eess
24
The categories of this paper are: dg-ga