Initial findings specified that in the majority of ambient-phase perovskites, α V exhibits a positive trend. 139 This positive trend results in a lowering of the bandgap energy initially, followed by a decrease in the crystal lattice constant or cell volume. 140 This phenomenon closely aligns with experimental observations, primarily due to the increment of orbital overlap resulting from the shortened bonds. 141 After a phase transition caused by increasing pressure, a blue shift in the bandgap may occur due to possible decreases in orbital overlap caused by crystal deformation or its tilt.
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Band gap tuning of perovskite solar cells for enhancing the efficiency and stability: issues and prospects.
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