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Rapid Characterization and Parameter Space Exploration of Perovskites Using an Automated Routine
journal contribution
posted on 2019-12-19, 15:15 authored by Elisabeth Reinhardt, Ahmed M. Salaheldin, Monica Distaso, Doris Segets, Wolfgang PeukertHybrid, e.g., organic inorganic, perovskites from the
type methylammonium lead iodide CH3NH3PbI3 are promising solar cell materials. However, due to the large
parameter space spanned by the manifold combinations of divalent metals
with organic cations and anions, an efficient approach is needed to
rapidly test and categorize new promising materials. Herein, we developed
a high throughput approach for the automated synthesis of perovskite
layers with different precursor ratios at varying annealing temperatures.
The layers were analyzed by optical absorption and photoluminescence
(PL) spectroscopy as well as X-ray diffraction (XRD) and evaluated
using two different procedures. The first one is a stepwise exclusion
of nonperforming reactant ratios and synthesis conditions by using
both spectroscopic techniques, followed by a final validation of the
procedure by XRD. In the second procedure, only PL results were consulted
in combination with high throughput screening using design of experiments
(DoE) to reduce the total number of experiments needed and compared
to the manual cascade approach. Noteworthy, by simple PL screening,
it was possible to identify the best ratio of perovskite to byproducts
and annealing temperature. Thus, only with PL, more detailed results
as with the manual protocol were reached, while at the same time the
effort for characterization was significantly reduced (by 60% of the
experimental time). In conclusion, our approach opens a way toward
fast and efficient identification of new promising materials under
different reaction and process conditions.
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annealing temperaturesRapid CharacterizationPL resultsprocess conditionsreactant ratioscascade approachsynthesis conditionsX-ray diffractionParameter Space Explorationexperimentspectroscopic techniquesXRDtype methylammoniummanifold combinationsthroughput screeningcell materialsprocedureannealing temperaturethroughput approachiodide CH 3 NH 3 PbI 3perovskite layersdivalent metalsPL screeningparameter spaceprecursor ratios
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