First-principles density functional theory DFT+U calculations and experimental neutron difiraction structure analyses were used to determine the low-temperature crystallographic and magnetic structure of bixbyite a-Mn2O3. The energies of various magnetic arrangements, calculated from first principles, were ...
Bixbyite α -Mn 2 O 3 is an inexpensive Earth-abundant mineral that can be used to drive both oxygen evolution (OER) and oxygen reduction reactions (ORR) in alkaline conditions. It possesses a subtle orthorhombic → cubic phase change near room temperature that suppresses Jahn–Teller distortions...
However, the relatively high thermal conductivity and unsatisfactory calcium-magnesium-aluminosilicate (CMAS) resistance are the main obstacles for the practical application of Y 2 O 3 . In order to reduce the thermal conductivity and increase the CMAS resistance, four cubic bixbyite structured high-...
The bixbyite structure of In2O3has two nonequivalent, 6-coordinate cation sites and, when Sn is doped into In2O3, the Sn prefers the “b-site” and produces a highly conductive material. When divalent/tetravalent cation pairs are cosubstituted into In2O3, however, the conductivity increases...