A short commentary is given on the paper by Vosegaard et al. [Acta Cryst. (2023), 79, 380-391], which compares charge density models derived from four datasets measured on conventional diffractometers with the results of a high-quality dataset from SPring-8.
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http://dx.doi.org/10.1107/S205252062300776X | DOI Listing |
Nature
January 2025
State Key Laboratory of New Ceramics and Fine Processing, School of Materials Science and Engineering, Tsinghua University, Beijing, China.
Dielectric-based energy storage capacitors characterized with fast charging and discharging speed and reliability play a vital role in cutting-edge electrical and electronic equipment. In pursuit of capacitor miniaturization and integration, dielectrics must offer high energy density and efficiency. Antiferroelectrics with antiparallel dipole configurations have been of significant interest for high-performance energy storage due to their negligible remanent polarization and high maximum polarization in the field-induced ferroelectric state.
View Article and Find Full Text PDFNature
January 2025
Department of Physics, Korea Advanced Institute of Science and Technology (KAIST), Daejeon, Korea.
A particle current generated by pumping in the absence of gradients in potential energy, density or temperature is associated with non-trivial dynamics. A representative example is charge pumping that is associated with the quantum Hall effect and the quantum anomalous Hall effect. Spin pumping, the spin equivalent of charge pumping, refers to the emission of a spin current by magnetization dynamics.
View Article and Find Full Text PDFACS Appl Mater Interfaces
January 2025
Center for Physical Sciences and Technology, Saulėtekio av.3, 10257 Vilnius, Lithuania.
Understanding the dynamics of injected charge carriers is crucial for the analysis of the perovskite light-emitting diode (PeLED) operation. The behavior of the injected carriers largely dictates the external quantum efficiency (EQE) roll-off at high current densities and the temperature dependence of the EQE in PeLEDs. However, limitations such as sample capacitance and external circuitry hinder precise control of carrier injection rates, making it challenging to directly track the dynamics of individual carriers.
View Article and Find Full Text PDFJ Am Chem Soc
January 2025
Department of Chemistry, University of Southern California, Los Angeles, California 90089, United States.
The polycrystalline nature of perovskites, stemming from their facile solution-based fabrication, leads to a high density of grain boundaries (GBs) and point defects. However, the impact of GBs on perovskite performance remains uncertain, with contradictory statements found in the literature. We developed a machine learning force field, sampled GB structures on a nanosecond time scale, and performed nonadiabatic (NA) molecular dynamics simulations of charge carrier trapping and recombination in stoichiometric and doped GBs.
View Article and Find Full Text PDFInt J Biol Macromol
January 2025
Univ Rennes, CNRS, ISCR (Institut des Sciences Chimiques de Rennes), UMR 6226, F-35000 Rennes, France. Electronic address:
The lack of understanding of polyplexes stability and their dissociation mechanisms, allowing the release of DNA, is currently a major limitation in non-viral gene delivery. One proposed mechanism for DNA-based polyplexes dissociation is based on the electrostatic interactions between polycations and biological polyanions, such as glycosaminoglycans (GAGs). This work aimed at investigating whether GAGs such as heparin, chondroitin sulphate and hyaluronic acid promote the dissociation of PEI/DNA polyplexes.
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