  Photoluminescence Quenching Simulator (PLQ-Sim) is a user-friendly software
to study the photoexcited state dynamics at the interface between two organic
semiconductors forming a blend: an electron donor (D), and an electron acceptor
(A). Its main function is to provide substantial information on the
photophysical processes relevant to organic photovoltaic and photothermal
devices, such as charge transfer state formation and subsequent free charge
generation or exciton recombination. From input parameters provided by the
user, the program calculates the transfer rates of the D/A blend and employs a
kinetic model that provides the photoluminescence quenching efficiency for
initial excitation in the donor or acceptor. When calculating the rates, the
user can choose to use disorder parameters to better describe the system. In
addition, the program was developed to address energy transfer phenomena that
are commonly present in organic blends. The time evolution of state populations
is also calculated providing relevant information for the user. In this
article, we present the theory behind the kinetic model, along with suggestions
for methods to obtain the input parameters. A detailed demonstration of the
program, its applicability, and an analysis of the outputs are also presented.
PLQ-Sim is license free software that can be run via dedicated webserver
nanocalc.org or downloading the program executables (for Unix, Windows, and
macOS) from the PLQ-Sim repository on GitHub.
