The elastic state of embedded inclusions is of considerable importance to the properties of materials. The non-uniform lattice distortion in the inclusions in which the interfaces are shaped with variable curvature cannot be measured by usual experimental methods. In this paper, the lattice distortions in an ellipsoid-like nano-crystallite of copper were measured by means of the peak finding method in the central part of the HRTEM image. The effects of contrast delocalization are studied by HRTEM image simulations, which show that the measured spacings of peaks in the middle part of the crystallite can be considered approximately equal to the true spacings of columns. With the HRTEM method, our measured results show that the nano-crystallite is expanded in the short axis direction and compressed in the long axis direction. The results calculated with the elasticity theory incorporating interface tension consist with the experimental results of HRTEM.
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http://dx.doi.org/10.1016/j.micron.2011.05.005 | DOI Listing |
Nat Commun
January 2025
School of Chemical Engineering and Technology, Key Laboratory for Green Chemical Technology of Ministry of Education, Tianjin University, Tianjin, 300072, China.
Precisely managing electron transfer pathways throughout the catalytic reaction is paramount for bolstering both the efficacy and endurance of catalysts, offering a pivotal solution to addressing concerns surrounding host structure destabilization and cycling life degradation. This paper describes the integration of B-Ni dual single-atoms within MnO channels to serve as an electronic reservoir to direct the electron transfer route during methane catalytic combustion. Comprehensive analysis discovers that B atoms weaken the interaction between O and Mn atoms by forming bonds with lattice oxygen atoms.
View Article and Find Full Text PDFJ Am Chem Soc
January 2025
Department of Physical Chemistry, Beijing Advanced Innovation Center for Materials Genome Engineering, University of Science and Technology Beijing, Beijing 100083, China.
Lattice distortion and disorder in the chemical environment of magnetic atoms within high-entropy compounds present intriguing issues in the modulation of magnetic functional compounds. However, the complexity inherent in high-entropy disordered systems has resulted in a relative scarcity of comprehensive investigations exploring the magnetic functional mechanisms of these alloys. Herein, we investigate the magnetocaloric effect (MCE) of the high-entropy intermetallic compound GdTbDyHoErCo.
View Article and Find Full Text PDFSmall
January 2025
Beijing Key Laboratory of Energy Conversion and Storage Materials, College of Chemistry, Beijing Normal University, Beijing, 100875, P. R. China.
Establishing the relationship between catalytic performance and material structure is crucial for developing design principles for highly active catalysts. Herein, a type of perovskite fluoride, NHMnF, which owns strong-field coordination including fluorine and ammonia, is in situ grown on carbon nanotubes (CNTs) and used as a model structure to study and improve the intrinsic catalytic activity through heteroatom doping strategies. This approach optimizes spin-dependent orbital interactions to alter the charge transfer between the catalyst and reactants.
View Article and Find Full Text PDFThis study examines the intricate area of refractory-based high entropy alloys (RHEAs), focusing on a series of complex compositions involving nine diverse refractory elements: Ti, V, Cr, Zr, Nb, Mo, Hf, Ta, and W. We investigate the phase stability, bonding interactions, electronic structures, lattice distortions, mechanical, and thermal properties of six RHEAs with varying elemental ratios using VASP and OLCAO DFT calculations. Through comprehensive analysis, we investigate the impact of elemental variations on the electronic structure, interacting bond dynamics, lattice distortion, thermodynamic, mechanical, and thermal properties within these RHEAs, providing an insight into how these specific elemental variations in composition give rise to changes in the calculated properties in ways that would guide future experimental and computational efforts.
View Article and Find Full Text PDFInorg Chem
January 2025
Fujian Provincial Key Laboratory of Advanced Materials Oriented Chemical Engineering, College of Chemistry and Material Science, Fujian Normal University, No. 8 Shangsan Road, Fuzhou 350007, China.
The electrocatalytic 5-hydroxymethylfurfural (HMF) oxidation reaction (HMFOR) toward 2,5-furandicarboxylic acid (FDCA) has been considered a promising approach for the substitution of the energy-consuming and hazardous oxygen evolution reaction and for the valorization of renewable biomass. However, it is limited by the susceptibility of HMF to the oxidative environment and requires efficient electrocatalysts. Herein, a NiMo complex (NiMo-N) is provided as the precatalyst for the HMFOR, exhibiting favorable performances with a current density of 450 mA·cm achieved at an anodic potential of 1.
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