The two known phases of CuFeS2 can be selectively synthesized through cation exchange depending on the donor strength of L-type donors present. Using a hexagonal Cu2S host particle, the rate of ferric ion incorporation was dependent on the ligand strength. When the iron incorporation had comparable rates to the copper loss, the hexagonal anion lattice was maintained a metastable wurtzite-like CuFeS2 phase. When the iron incorporation was inhibited, the sulfur sublattice transformed to yield tetragonal chalcopyrite. Powder XRD confirmed that the ratio of the two products was proportional to the Tolman electronic parameter of the tertiary phosphorous-containing ligand present, where weaker donors were associated with greater hexagonal phase composition. TEM/EDS confirm a retained morphology from the host particle as well as presence of iron confined to the particles, indicating successful ion incorporation.

Phase control of CuFeS2 nanoparticles by controlling rate in cation exchange

ACS Spring Meeting 2021

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