The crystal structure of CuFeS (bornite) has been investigated using synchrotron X-ray powder diffraction at temperatures between 10 and 275 K. Diffraction data confirm that bornite crystallizes in the orthorhombic space group Pbca at 275 K. The unit-cell volume decreases continuously on cooling, but undergoes an abrupt contraction below ∼65 K, where a first-order Pbca→Pca2 structural transition takes place. The primary active mode yielding the observed ordered structure corresponds to the irreducible representation Γ, with wavevector (0,0,0). Pair distribution function analysis shows strong discrepancies between the local and the average structure. The average Fe-S bond length obtained through the EXAFS local probe is consistent with the values independently provided by X-ray powder diffraction data, strongly supporting the preferred location of Fe.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1107/S2052520618009812 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Single-Step Deposition of Chalcopyrite (CuFeS) Thin Films.
ACS Omega
December 2024
Materials Science and Engineering Post-Graduation - Federal University of Campina Grande (UFCG), Campina Grande 58429-900, PB, Brazil.
Thin films of chalcopyrite, CuFeS, are promising candidates for use as absorber layers in photovoltaic cells due to their low band gap and high absorbance. These films are typically deposited in two or three steps, always involving an annealing process. In this work, the CuFeS film was deposited on a glass substrate in a single deposition step using the cathodic cylindrical plasma deposition (CCyPD) technique.
View Article and Find Full Text PDFElectronic structure modulation single atom interfacial engineering for selective atmospheric CO photoreduction.
Chem Commun (Camb)
November 2024
State Environmental Protection Key Laboratory of Integrated Surface Water-Groundwater Pollution Control, School of Environmental Science and Engineering, Guangdong Provincial Key Laboratory of Soil and Groundwater Pollution Control, Southern University of Science and Technology, Shenzhen, Guangdong 518055, China.
Article Synopsis
- Single-atom iridium was successfully integrated with CuFeS quantum dots, improving CO photoreduction efficiency.
- This combination achieved a CO yield rate of 32.5 μmol per gram per hour, with an impressive selectivity of 92.2%.
- The study highlights the effectiveness of single-atom interfacial engineering in enhancing CO photoreduction technology.
Revealing the fast reaction kinetics and interfacial behaviors of CuFeS hollow nanorods for durable and high-rate sodium storage.
J Colloid Interface Sci
February 2025
Key Laboratory of Function-oriented Porous Materials of Henan Province, College of Chemistry and Chemical Engineering, Luoyang Normal University, Luoyang, Henan 471934, China. Electronic address:
The synergistic effect of two metallic elements in metal sulfides is regarded as a promising route for constructing advanced anodes for sodium-ion batteries (SIBs). However, the explorations of intricate interactions and structural evolution in host material are often overlooked, which are crucial for the performance optimization. Herein, a bimetallic sulfide CuFeS and FeS/CuS heterostructure with similar hollow nanorods morphology is obtained by regulating sulfuration conditions.
View Article and Find Full Text PDFACuGaS (A = Rb, Cs): Design and Synthesis of Two New Cavity-Chalcopyrite Chalcogenides Based on "Iterative Substitution" Strategy.
Chemistry
October 2024
Tianjin Key Laboratory of Functional Crystal Materials, Institute of Functional Crystal, College of Materials Science and Engineering, Tianjin University of Technology, Tianjin, 300384, China.
Two new non-centrosymmetric chalcogenides, ACuGaS (A=Rb, Cs) have been successfully synthesized by an "iterative substitution" strategy based on chalcopyrite CuFeS structural template. Benefiting from the substitution of Fe cations by Ga cations, ACuGaS (A = Rb, Cs) exhibit wide suitable band gap of 2.48 and 2.
View Article and Find Full Text PDFEfficient Synthesis of Flower-Ball Structured CuFeS as Advanced Anode Material for Lithium-Ion Batteries Across Wide Temperature Ranges.
J Phys Chem Lett
October 2024
Clean Nano Energy Center, State Key Laboratory of Metastable Materials Science and Technology, School of Materials Science and Engineering, Yanshan University, Qinhuangdao 066004, P. R. China.
Transition metal sulfides stand as potential anode candidates for lithium-ion batteries offering high capacity, redox reversibility, and safety. However, cycling-induced volume variations and slow kinetics hinder their application. Here, CuFeS with a flower-ball nanosheet structure is synthesized via a hydrothermal method, enhancing electrolyte infiltration, Li transport, and cycle life.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!