Space charge layers (SCLs) formed at grain boundaries (GBs) are considered to critically influence the properties of polycrystalline materials such as ion conductivities. Despite the extensive researches on this issue, the presence of GB SCLs and their relationship with GB orientations, atomic-scale structures and impurity/solute segregation behaviors remain controversial, primarily due to the difficulties in directly observing charge distribution at GBs. In this study, we directly observe electric field distribution across the well-defined yttria-stabilized zirconia (YSZ) GBs by tilt-scan averaged differential phase contrast scanning transmission electron microscopy. Our observation clearly reveals the existence of SCLs across the YSZ GBs with nanometer precision, which are significantly varied depending on the GB orientations and the resultant core atomic structures. Moreover, the magnitude of SCLs show a strong correlation with yttrium segregation amounts. This study provides critical insights into the complex interplay between SCLs, orientations, atomic structures and segregation of GBs in ionic crystals.
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http://dx.doi.org/10.1038/s41467-024-53014-w | DOI Listing |
Gigascience
January 2025
State Key Laboratory of Developmental Biology of Freshwater Fish, Engineering Research Center of Polyploid Fish Reproduction and Breeding of the State Education Ministry, College of Life Sciences, Hunan Normal University, Changsha 410081, China.
Background: Genomic data have unveiled a fascinating aspect of the evolutionary past, showing that the mingling of different species through hybridization has left its mark on the histories of numerous life forms. However, the relationship between hybridization events and the origins of cyprinid fishes remains unclear.
Results: In this study, we generated de novo assembled genomes of 8 cyprinid fishes and conducted phylogenetic analyses on 24 species.
J 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 PDFPhys Chem Chem Phys
January 2025
Department of Physics, Indian Institute of Technology (IIT) Delhi, New Delhi 110016, India.
The concept of inert matrix fuel (IMF) has been proposed to utilize the energetic value of Pu and transmute minor actinides in nuclear reactors. In order to offset the initial reactivity of nuclear fuel, gadolinium (Gd) is employed as a burnable poison, owing to its high neutron absorption cross-section. To gain insights into the radiation stability and influence of grain boundaries on irradiation behaviour, 5 mol% Gd-doped ceria samples, sintered at varying temperatures, were subjected to irradiation using 400 Kr ions.
View Article and Find Full Text PDFIn Vitro Model
December 2024
Department of Industrial and Manufacturing Engineering, Pennsylvania State University, State College, University Park, PA USA.
Zinc (Zn) and its alloys have been the focus of recent materials and manufacturing research for orthopaedic implants due to their favorable characteristics including desirable mechanical strength, biodegradability, and biocompatibility. In this research, a novel process involving additive manufacturing (AM) augmented casting was employed to fabricate zinc-magnesium (Zn-0.8 Mg) artifacts with surface lattices composed of triply periodic minimal surfaces (TPMS), specifically gyroid.
View Article and Find Full Text PDFACS Appl Mater Interfaces
January 2025
Clean Energy Research Center, University of Yamanashi, 4-3-11 Takeda, Kofu, Yamanashi 400-8511, Japan.
Thermoelectric (TE) devices recycle high-temperature waste-heat efficiently, but waste-heat below sub-250 °C remains uncaptured. As promoting full autonomy for the Internet of Things (IoT), we present a TE generator using multilayered pseudo--type GaN/TiN/GaN and -type TiO/TiN/TiO TE one-leg devices, where heterozygous of outer/inner layers demonstrates the functions of a colossal Seebeck coefficient ( = +15,000 μV K) with phonon-assist hopping, controlling by the porosity for reducing thermal conductivity (κ), a high electric conductivity (σ) with reducing κ by outer layers, and σ- coexistence over singular curve by the asymmetric electrode configuration. is elucidated hopping among inner grains and the space charge (SC) grain boundary (GB) of 100 μm regions within Debye length.
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