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Abstract The electronic structure of halide perovskites is central to their carrier dynamics, enabling the excellent optoelectronic performance. However, the experimentally resolved transient absorption spectra exhibit large discrepancies from the commonly computed electronic structure by density functional theory. Using pseudocubic CsPbI3 as a prototype example, here, it is unveiled with both ab initio molecular dynamics simulations and transmission electron microscopy that there exists pronounced dynamical lattice distortion in the form of disordered instantaneous octahedral tilting. Rigorous first‐principles calculations reveal that the lattice distortion substantially alters the electronic band structure through renormalizing the band dispersions and the interband transition energies. Most notably, the electron and hole effective masses increase by 65% and 88%, respectively; the transition energy between the two highest valence bands decreases by about one half, agreeing remarkably well with supercontinuum transient‐absorption measurements. This study further demonstrates how the resulting electronic structure modulates various aspects of the carrier dynamics such as carrier transport, hot‐carrier relaxation, Auger recombination, and carrier multiplication in halide perovskites. The insights provide a pathway to engineer carrier transport and relaxation via lattice distortion, enabling the promise to achieve ultrahigh‐efficiency photovoltaic devices.

The order k Voronoi diagram (OkVD) is an effective geometric construction to partition the geographical space into a set of Voronoi regions such that all locations within a Voronoi region share the same k nearest points of interest (POIs). Despite the broad applications of OkVD in various geographical analysis, few efficient algorithms have been proposed to construct OkVD in real road networks. This study proposes a novel algorithm consisting of two stages. In the first stage, a new one-to-all k shortest path finding procedure is proposed to efficiently determine the shortest paths to k nearest POIs for each node. In the second stage, a new recursive procedure is introduced to effectively divide boundary links within different Voronoi regions using the hierarchical tessellation property of the OkVD. To demonstrate the applicability of the proposed OkVD construction algorithm, a case study of place-based accessibility evaluation is carried out. Computational experiments are also conducted on five real road networks with different sizes, and results show that the proposed OkVD algorithm performed significantly better than state-of-the-art algorithms.