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<p>The development of synthetic techniques has enabled the fabrication of mesostructured materials with high complexity. However, their large unit cell parameter and inadequate repeating units pose substantial challenges in accurately determining their intricate three-dimensional (3D) architectures using conventional X-ray diffraction and electron crystallographic techniques. Electron tomography (ET), which reconstructs a 3D volume from a series of 2D projections at different tilt angles, is an ideal tool for structure solution of mesostructures. Nonetheless, there has been no detailed comparison of reconstruction algorithms specifically for mesostructures, and obtaining high-quality ET for solving complex 3D structures remains challenging. Herein, we evaluated typical ET reconstruction algorithms, including simultaneous iterative reconstruction technique (SIRT), algebraic reconstruction technique (ART), generalized Fourier iterative reconstruction (GENFIRE) and real-space iterative reconstruction (RESIRE), for the determination of mesostructures. By applying these methods to a highly complex structure with shifted double diamond (SDD) networks, we assessed the feasibility and accuracy of structure determination abilities. Our results demonstrated that common iterative algorithms are capable of determining the SDD structure, while more recent algorithms, such as GENFIRE and RESIRE reveal more details with fewer artifacts. Combined with advanced imaging and computation apparatus, ET shows great potential for the structure determination of future mesostructured structures.</p>

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Electron Tomography in Structural Determination of Mesostructured Materials: A Comprehensive Evaluation of Reconstruction Algorithms

  • 期刊论文

  • 发表日期：

    2025年9月3日

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  • Xueliang Zhang,
  • Quanzheng Deng,
  • Congcong Cui,
  • Shunai Che,
  • Lu Han

摘要

The development of synthetic techniques has enabled the fabrication of mesostructured materials with high complexity. However, their large unit cell parameter and inadequate repeating units pose substantial challenges in accurately determining their intricate three-dimensional (3D) architectures using conventional X-ray diffraction and electron crystallographic techniques. Electron tomography (ET), which reconstructs a 3D volume from a series of 2D projections at different tilt angles, is an ideal tool for structure solution of mesostructures. Nonetheless, there has been no detailed comparison of reconstruction algorithms specifically for mesostructures, and obtaining high-quality ET for solving complex 3D structures remains challenging. Herein, we evaluated typical ET reconstruction algorithms, including simultaneous iterative reconstruction technique (SIRT), algebraic reconstruction technique (ART), generalized Fourier iterative reconstruction (GENFIRE) and real-space iterative reconstruction (RESIRE), for the determination of mesostructures. By applying these methods to a highly complex structure with shifted double diamond (SDD) networks, we assessed the feasibility and accuracy of structure determination abilities. Our results demonstrated that common iterative algorithms are capable of determining the SDD structure, while more recent algorithms, such as GENFIRE and RESIRE reveal more details with fewer artifacts. Combined with advanced imaging and computation apparatus, ET shows great potential for the structure determination of future mesostructured structures.