Experimental and Theoretical Investigations of MAPbX₃‐Based Perovskites (X=Cl, Br, I) for Photovoltaic Applications

Abstract

This work mainly focuses on synthesizing and evaluating the efficiency of methylammonium lead halide‐based perovskite (MAPbX3; X=Cl, Br, I) solar cells. We used the colloidal Hot‐injection method (HIM) to synthesize MAPbX3 (X=Cl, Br, I) perovskites using the specific precursors and organic solvents under ambient conditions. We studied the structural, morphological and optical properties of MAPbX3 perovskites using XRD, FESEM, TEM, UV‐Vis, PL and TRPL (time‐resolved photoluminescence) characterization techniques. The particle size and morphology of these perovskites vary with respect to the halide variation. The MAPbI3 perovskite possesses a low band gap and low carrier lifetime but delivers the highest PCE among other halide perovskite samples, making it a promising candidate for solar cell technology. To further enrich the investigations, the conversion efficiency of the MAPbX3 perovskites has been evaluated through extensive device simulations. Here, the optical constants, band gap energy and carrier lifetime of MAPbX3 were used for simulating three different perovskite solar cells, namely I, Cl or Br halide‐based perovskite solar cells. MAPbI3, MAPbBr3 and MAPbCl3 absorber layer‐based devices showed ~13.7 %, 6.9 % and 5.0 % conversion efficiency. The correlation between the experimental and SCAPS simulation data for HIM‐synthesized MAPBX3‐based perovskites has been reported for the first time.

Ultrafast charge carrier dynamics of methylammonium lead iodide from first principles

“…From the onset, characterized by three weak excitations polarized along each Cartesian direction, the absorption spectrum grows steeply and exhibits intense maxima around 2.0 eV, 2.5 eV, and 3.4 eV. All these features are in agreement with experimental results [68][69][70]. At higher energies, the absorption becomes more isotropic with similar contributions from the three polarizations (figure 2).…”

The Effect of Changing the Nano Size and Crystal Spacing on the Energy Gap and Other Optical and Electrical Properties of Ba_xFe_(1-x)TiO₄ Perovskite Cells and Their Theoretical Relations

“…The change of halide doping material (Cl, Br, I) Changes the band gap which becomes lower for I. George G. Njema [18] also found that the change of nanostructure changes the physical properties of the nano cells since it indicated that increasing crystallization degree increases efficiency which is related to the absorption coefficient and conductivity. The same foundations were obtained by Saemi Takahashi [19] where improving the crystallization degree increases the efficiency. Similarly, Ningya Ren [20] indicated that an increase in crystal orientation increases the efficiency.…”

“…The research done by Saemi Takahashi [19] studied the effects of TiO2 interfacial morphology on perovskite solar cells by modifying micro and Nano surface roughness on the crystallinity of the perovskite layer. He found significant improvement in the crystal morphology.…”