AI Article Synopsis
- Understanding atomic positions is key for linking structure to the properties of materials, especially for compounds with light elements like boron and transition metals.
- The study utilized single crystal X-ray diffraction to examine the atomic arrangements in CoMoB and FeMoB, discovering B-B bond lengths that varied from previously reported figures.
- Findings included the dual occupation of Co and Fe in the crystal lattice and demonstrated that CoMoB exhibits superior thermal stability compared to FeMoB, confirmed by various analytical techniques.
Article Abstract
The precise determination of atomic position of materials is critical for understanding the relationship between structure and properties, especially for compounds with light elements of boron and single or multiple transition metals. In this work, the single crystal X-ray diffraction is employed to analyze the atomic positions of CoMoB and FeMoB with a TaB-type structure, and it is found that the lengths of B-B bonds connecting the two zig-zag boron chains are 1.86 Å and 1.87 Å, but previously unreported 1.4 Å. Co and Fe atoms occupy the same crystallographic position in lattice for the doped samples and the valence is close to the metal itself, and Co/Fe K-edge X-ray Absorption Fine Structure(XAFS) spectra of borides with different ratios of Co to Fe are collected to detect the local environment and chemical valence of Co and Fe. Vickers hardness and nano indentation measurements are performed, together with the Density Functional Theory (DFT) calculations. Finally, CoMoB possess better thermal stability than FeMoB evaluated by Thermogravimetric Differential Thermal Analysis (TG-DTA) results.
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| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9102238 | PMC |
| http://dx.doi.org/10.3390/ma15093031 | DOI Listing |
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