Simulation of highly emissive states based on ligand-to-metal charge transferDoklady Physical Chemistry - Tập 470 - Trang 133-136 - 2016
G. V. Loukova, A. A. Milov, V. P. Vasiliev, V. I. Minkin
Properties of the frontier orbitals of a d
0-organometallic complex with promising photoluminescent and photosensor characteristics have been systematically studied by modern quantum-chemical methods. It has been demonstrated that the lowest electronically excited states are related to charge transfer from high-lying ligand-centered molecular orbitals to the predomi...... hiện toàn bộ
High-temperature heat capacity of erbium titanate with a pyrochlore structureDoklady Physical Chemistry - Tập 475 - Trang 139-141 - 2017
L. T. Denisova, A. D. Izotov, Yu. F. Kargin, L. G. Chumilina, V. V. Ryabov, V. M. Denisov
Erbium titanate with a pyrochlore structure has been synthesized by a ceramic method from stoichiometric Er2O3–TiO2 mixtures at 1673–1773 K. The high-temperature heat capacity of Er2Ti2O7 (320–1000 K) has been studied by differential scanning calorimetry. The thermodynamic functions of this oxide compound—enthalpy and entropy changes and reduced Gibbs—have been calculated from the experimental dep...... hiện toàn bộ