What is chalcopyrites semiconductors?
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Chalcopyrite semiconductors are ternary semiconductor compounds that have applications in photovoltaics and other optoelectronic devices. They have been extensively studied using ab initio methods and density functional theory (DFT) . Chalcopyrites such as CuGaS2, AgGaS2, CuGaSe2, CuInS2, CuInSe2, CuIn(S,Se)2, AgInS2, AgInSe2, and AgInTe2 have been investigated for their structural, optoelectronic, and thermoelectric properties . These materials have been found to be semiconductors with varying energy band gaps, and their electronic band structures and density of states have been calculated . The optical properties, such as absorption spectra, reflectivity, and refractive index, have also been studied . Chalcopyrite semiconductors, such as GaCuX2 (X = S, Se, Te) and CuTiX2 (X = S, Se, Te), have shown potential for applications in solar cells and other optoelectronic devices .
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| The paper does not provide a specific definition or explanation of chalcopyrite semiconductors. | |
Open access 31 Dec 2020 | The paper states that AgInS2, AgInSe2, and AgInTe2 are materials with a Chalcopyrite structure and are predicted to be semiconductors with energy band gap values of 1.77 eV, 1.63 eV, and 1.29 eV respectively. |
| Chalcopyrite semiconductors are materials that are commonly used as absorbers in thin film solar cells. They have high power conversion efficiency and interesting mechanical properties, making them promising for flexible and thin solar cells. | |
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Is there DFT studies about collectors interaction with chalcopyrite?5 answersDensity Functional Theory (DFT) studies have been conducted to investigate the interaction of collectors with chalcopyrite in various research papers. For instance, a study by Nourmohamadi et al. explored the favorable interaction of Fe3+ ions with chalcopyrite surfaces using DFT calculations. Additionally, Ma et al. discussed the mechanism of adsorption of a modified xanthate compound, S-benzoyl O-isobutyl xanthate (BIBX), to chalcopyrite through DFT calculations. These studies highlight the significance of DFT in understanding the molecular interactions between collectors and chalcopyrite surfaces, providing valuable insights into the adsorption mechanisms and potential applications of different collectors in enhancing chalcopyrite recovery processes.
Can alternative methods be developed to separate chalcopyrite from pyrite without compromising the recovery of copper?4 answersAlternative methods have been explored to separate chalcopyrite from pyrite without compromising the recovery of copper. One study tested mechanical and chemical treatments to detach finely ground chalcopyrite particles from Cu2+-treated coarse pyrite particles after flotation. Acid treatment was found to be effective in detaching chalcopyrite fines from coarse pyrite particles, weakening the hydrophobic attraction force between them. Another study conducted a combined process of salt roasting and acid leaching to recover copper from chalcopyrite concentrate. Results showed that about 80% and 90% of chalcopyrite decomposed under specific roasting conditions, allowing for efficient copper dissolution. Bioleaching, which uses acidophilic bacteria to catalyze the dissolution of sulfide/iron-containing ores, has also been explored. Optimization of leaching conditions can enhance the leaching rate and improve copper yield. These alternative methods offer potential solutions for separating chalcopyrite from pyrite while maintaining copper recovery.
How is the chalcopyrite surface?4 answersThe surface of chalcopyrite has been studied in several papers. The electronic surface level positions of different chalcopyrite thin-film absorbers were investigated for their suitability for photoelectrochemical (PEC) water splitting. The chalcopyrite (112) surface was found to be relatively inert under industrially relevant leaching conditions, with no formation of elemental sulfur observed. Microwave treatment was shown to decrease the surface roughness of chalcopyrite and increase its wettability. The passive film on the surface of chalcopyrite was found to be a metal-deficient sulfide film, with an outer layer of iron oxyhydroxide. The surface microchemical and microstructural analysis of chalcopyrite alloys revealed that the close-packed {112} type surfaces have the lowest surface energies and that grain boundaries play a role in device performance.
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