Related Experiment Video
Updated: May 4, 2026

Influence of Hybrid Perovskite Fabrication Methods on Film Formation, Electronic Structure, and Solar Cell Performance
Published on: February 27, 2017
Designing and synthesizing perovskites with targeted bandgaps via tailored descriptors
Kenshin Shibata1, Fernando Garcia-Escobar1, Tomoya Tashiro1
1Department of Chemistry, Hokkaido University North 10, West 8 Sapporo 060-0810 Japan fgares@sci.hokudai.ac.jp keisuke.takahashi@sci.hokudai.ac.jp.
Abstract:
Descriptors that govern the bandgaps of perovskite-type oxides are identified by analyzing experimentally reported materials, focusing on compositional, structural, and electronic features relevant to solar energy conversion. These descriptors form the basis of a machine learning model that predicts bandgaps across a wide chemical space. Several compositions with targeted optical properties are predicted and subsequently synthesized. Structural and optical characterization studies confirm the formation of the predicted phases and the bandgap. Thus, this work demonstrates that the descriptor-driven, data-guided workflow accelerates the discovery of photoactive perovskites for solar energy conversion and visible-light-driven applications.
More Related Videos
08:12Low Pressure Vapor-assisted Solution Process for Tunable Band Gap Pinhole-free Methylammonium Lead Halide Perovskite Films
Published on: September 8, 2017
13:56Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
Published on: October 12, 2019
Related Concept Videos
Crystal Field Theory - Octahedral Complexes
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
Crystal Field Theory - Tetrahedral and Square Planar Complexes
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than...
Energy Bands in Solids
Band Formation:
When atoms are brought close together, as in a solid, these discrete energy levels begin to split due to the overlap of electron orbitals from adjacent atoms. This split occurs because of the Pauli exclusion principle, which states...
Imperfections in Crystal Structure: Stoichiometric Point Defects
Imperfections in Crystal Structure: Non-Stoichiometric Defects