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Crystals

Crystals is an international, peer-reviewed, open access journal on Crystallography published monthly online by MDPI. 
The Professional Committee of Key Materials and Technology for Electronic Components (PC-KMTEC) is affiliated with Crystals and its members receive discounts on the article processing charges.
Quartile Ranking JCR - Q2 (Crystallography)

All Articles (10,261)

Incomplete absorption correction procedures in single-crystal diffraction experiments leave a characteristic trace—a “fingerprint”—in the residuals. Specifically, weak intensities are systematically overestimated, contributing disproportionately and sometimes even dominantly to the chi-square sum in least squares refinements. An analysis of six published crystal structures spanning a wide range of absorption coefficients reveals a consistent positive shift of the weighted residuals, which were significant for crystals with >5.02 mm−1. This shift is all the stronger the greater the absorption coefficient and is accompanied by a proportionally increasing fraction of positive excess residuals. The simultaneous increase in the mean value of the residuals and the fraction of positive excess residuals proves that the shift is not caused by strong reflections or isolated outliers, but rather by the systematic overestimation of many weak intensities. Diagnostic plots and statistical metrics are presented for additional published data sets, supporting the generality of the findings. These findings can support the development of improved methods for absorption correction, which lead to physically meaningful thermal motion parameters even with strong absorption.

16 October 2025

Descriptors of residuals for 6 different crystals from published data sets [9] with decreasing absorption coefficient ranging from 
  
    
      μ
      Mo
    
    =
    121.02
  
 mm−1 (Crystal 1), to 
  
    
      μ
      Ag
    
    =
    1.53
  
 mm−1 (Crystal 6). The exact numbers are found in Table 2. Comparison of the mean value of the weighted residuals 
  
    ζ
  
 (a) and of the fraction of positive excess residuals 
  
    
      (
      #
      
        ζ
        +
      
      −
      #
      
        ζ
        −
      
      )
    
    /
    
      N
      
        o
        b
        s
      
    
  
 (b) for Crystals 1–6 from this study. The stronger the absorption coefficient, the larger the mean value of the residuals, with the exception of Crystal 2. The larger the mean value of residuals, the larger the fraction of positive excess residuals, again with the exception of Crystal 2.

Germanium-Based Temperonic Crystal

  • Jesus Manzanares-Martinez,
  • Diego Soto-Puebla and
  • Gerardo Morales-Morales

We propose a germanium-based temperonic crystal consisting of a two-layer unit cell designed to enable interference of thermal waves in the non-Fourier regime. Each layer features temperature-dependent properties, including thermal diffusivity D(T), thermal conductivity κ(T), and relaxation time τ(T). Utilizing the Cattaneo-Vernotte model, we predict band gaps in the temperature oscillation frequencies. Our analysis reveals that band gaps emerge when one layer is maintained at 110 K and the other at 50 K; however, these gaps close rapidly as the temperature contrast diminishes or the overall temperature increases. Drawing from the temperonic-crystal paradigm and inspired by recent experimental observations of thermal waves in germanium, this design offers a promising pathway for on-chip control of ultrafast thermal pulses and thermal-management devices in semiconductors.

16 October 2025

Metal–Organic Framework for Plastic Depolymerization and Upcycling

  • Kisung Lee,
  • Sumin Han and
  • Minse Kim
  • + 5 authors

Plastics are essential in modern life but accumulate as waste. Mechanical reprocessing reduces material quality, whereas thermochemical routes require harsh conditions and are costly to upgrade. Together, these factors hinder the large-scale recovery of plastics into equivalent materials. Metal–organic frameworks provide a programmable platform where reticular design fixes porosity and positions well-defined Lewis, Brønsted, redox, and photoredox sites that can preconcentrate oligomers and align scissile bonds for activation. These attributes enable complementary pathways spanning hydrolysis, alcoholysis, aminolysis, photo-oxidation, electrocatalysis, and MOF-derived transformations, with adsorption-guided capture-to-catalysis workflows emerging as integrative schemes. In this review, we establish common figures of merit such as space–time yield, monomer selectivity and purity, energy intensity, site-normalized turnover, and solvent or corrosion footprints. These metrics are connected to design rules that involve active-site chemistry and transport through semi-crystalline substrates. We also emphasize durability under hot aqueous, alcoholic, or oxidative conditions as essential for producing polymer-grade products.

16 October 2025

Structural and Magnetic Properties of Sputtered Chromium-Doped Sb2Te3 Thin Films

  • Joshua Bibby,
  • Angadjit Singh and
  • Emily Heppell
  • + 7 authors

Magnetron sputtering offers a scalable route to magnetic topological insulators (MTIs) based on Cr-doped Sb2Te3. We combine a range of X-ray diffraction (XRD), reciprocal-space mapping (RSM), scanning transmission electron microscopy (STEM), scanning TEM-energy-dispersive X-ray spectroscopy (STEM-EDS), and X-ray absorption spectroscopy, and X-ray magnetic circular dichroism (XAS/XMCD) techniques to study the structure and magnetism of Cr-doped Sb2Te3 films. Symmetric θ-2θ XRD and RSM establish a solubility window. Layered tetradymite order persists up to ∼10 at.-% Cr, while higher doping yields CrTe/Cr2Te3 secondary phases. STEM reveals nanocrystalline layered stacking at low Cr and loss of long-range layering at higher Cr concentrations, consistent with XRD/RSM. Magnetometry on a 6% film shows soft ferromagnetism at 5 K. XAS and XMCD at the Cr L2,3 edges exhibits a depth dependence: total electron yield (TE; surface sensitive) shows both nominal Cr2+ and Cr3+, whereas fluorescence yield (FY; bulk sensitive) shows a much higher Cr2+ weight. Sum rules applied to TEY give mL=(0.20±0.04) μB/Cr, and mS=(1.6±0.2) μB/Cr, whereby we note that the applied maximum field (3 T) likely underestimates mS. These results define a practical growth window and outline key parameters for MTI films.

16 October 2025

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Crystals - ISSN 2073-4352Creative Common CC BY license