WebThe ground state band structure, magnetic moments, charges and population numbers of electronic shells of Cu and Fe atoms have been calculated for chalcopyrite CuFeS2 using density functional theory. The comparison between our calculation results and experimental data (X ray photoemission, X ray absorption and neutron diffraction spectroscopy ... WebOct 1, 2011 · The temperature dependence of conduction-electron concentration n in CuFeS2 has a power form in the temperature range T = 14−300 K, which is characteristic of the intrinsic conductivity in...
Metal-semiconductor transition in single crystal chalcopyrite (CuFeS2
WebNov 1, 2024 · No variation in the valence states of Cu and Fe indicated that there was no redox reaction occurred after single-atomic Ag decorating on CuFeS2 QDs. Download : Download high-res image (586KB) Download : Download full-size image Fig. 1. Crystal structure and electronic structure characterization of CuFeS 2 and Ag/CuFeS 2 QDs. (a) … WebSamenvatting Mossbauer effect (MES), X-ray photoelectron (XPS) spectroscopies were used to study antiferromagnetic CuFeS2, especially its Cu and Fe ground-state … chrome tabs keep opening by themselves
Optical Reflectivity Spectrum of a CuFeS2 Single Crystal
WebFeb 9, 2024 · In both time and temperature series, the Cu oxidation state increases from 1+ to 1.75+ and the Fe oxidation state decreases from 3+ to 2.35+. (b) Total oxidation state of all cations in CuxFeyS2 are calculated by scaling oxidation state with cation fraction determined using ICP-MS (SI, eq S1). WebThe valence states of transition metal Cu and Fe atoms [1, 2], the nature of phase transition ... highlighting several aspects of chalcopyrite CuFeS2, including band structure, the oxidation state ... 3p orbitals of S and 3d orbitals of each Cu and Fe. The valence bands laid from -13.91 to -12.40 eV (not shown) ... WebFeb 28, 2024 · The earth-abundant natural mineral chalcopyrite CuFeS 2 is a potential n-type thermoelectric material because of its large Seebeck coefficient at high carrier concentrations. chrome.tabs.onupdate