We describe the polymorphic order-disorder transition in the chalcopyrite-type semiconductor Cuo. slnosSe through a Monte Carlo simulation of a generalized Ising Hamiltonian whose interaction energies are determined from ab initio total-energy calculations. The calculated transition temperature (T, =1 l25+'20 K) compares well with experiment (T, =1083 K). Unlike the analogous ordering in isoval...

The purpose of the work was to quantitatively characterize temperature effects on the bacterial leaching of sulfide ore material containing several sulfide minerals. The leaching was tested at eight different temperatures in the range of 4 to 37 degrees C. The experimental technique was based on column leaching of a coarsely ground (particle diameter, 0.59 to 5 mm) ore sample. The experimental ...

This paper predicts the bandgaps of over 200 new chalcopyrite compounds for previously untested chemistries. An ensemble data mining approach involving Ordinary Least Squares (OLS), Sparse Partial Least Squares (SPLS) and Elastic Net/Least Absolute Shrinkage and Selection Operator (Lasso) regression methods coupled to Rough Set (RS) and Principal Component Analysis (PCA) methods was used to dev...

In this research work, the dissolution of chalcopyrite was investigated under atmospheric pressure, with sulfate media at low temperatures, in 30°C to 50°C. In the galvanic interaction between chalcopyrite and pyrite, pyrite is used as a leaching catalyst. Effects of different parameters such as temperature, stirring speed, pyrite to chalcopyrite ratio, particle size, and solution potential wer...

A facile precursor dependent single step, one pot solution based synthesis of wurtzite and chalcopyrite polymorphs of CuFeS2 has been developed by reacting a Cu(I) thiourea complex with Fe2(SO4)3 and FeCl3 separately in ethylene glycol. The phases have been characterized by structural refinements, SEM-EDX, TEM-SAED, Raman, UV-Visible spectroscopy and TGA measurements.

Abstract Chalcopyrite (CuFeS 2 ) is the most refractory copper mineral when treated in conventional sulfate media leaching systems. This first study to examine use of a dimethyl sulfoxide (CH 3 SOCH , DMSO) solution containing chloride (CuCl for chalcopyrite. Leaching experiments concentrate composed mainly chalcopyrite were conducted at ambient pressure 313–413 K. The fractions Cu, Fe, S, Au, ...