Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Laser-Controlled Charge Transfer in a Two-Dimensional Organic/Inorganic
  Heterostructure   Understanding the fundamental mechanisms ruling laser-induced charge transfer
in hybrid organic/inorganic materials is of paramount importance to exploit
these systems in next-generation opto-electronic applications. In a
first-principles work based on real-time time-dependent density-functional
theory, we investigate the ultrafast charge-carrier dynamics of a prototypical
two-dimensional heterostructure formed by a MoSe$_2$ monolayer doped by
adsorbed pyrene molecules. By varying the intensity of the incident pulse, set
in resonance with the frequency of the lowest-energy transition in the
physisorbed moieties, we monitor charge- and energy-transfer during and
immediately after femtosecond irradiation. In the linear regime triggered by
weak laser intensities, charge transfer occurs from the molecules to the
inorganic monolayer. Conversely, under strong pulses, when the response of the
hybrid material becomes markedly nonlinear, the direction of charge transfer is
reverted, with electrons being transferred from MoSe$_2$ to pyrene. This
finding is explained in terms of Pauli blocking: laser-induced (de)population
of (valence) conduction states saturates for intensities beyond 200
GW/cm$^{2}$. A thorough analysis of electronic current density, excitation
energy, and number of excited electrons supports this interpretation.

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The categories of this paper are: mtrl-th
27
The categories of this paper are: comp-gas
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The categories of this paper are: dg-ga
2
The categories of this paper are: math
1
The categories of this paper are: cs
23
The categories of this paper are: solv-int
9
The categories of this paper are: nlin
19
The categories of this paper are: eess
37
The categories of this paper are: supr-con
6
The categories of this paper are: astro-ph
17
The categories of this paper are: q-fin
15
The categories of this paper are: nucl-ex
20
The categories of this paper are: acc-phys
22
The categories of this paper are: chao-dyn
0
The categories of this paper are: hep-ph
31
The categories of this paper are: ao-sci