Among alcohol soluble self n-doped fullerene ammonium derivatives, the title fullerene showed the best solvent resistance and inverted polymer solar cells retained high efficiency at 82 nm of this interlayer.
Key indicatorsSingle-crystal X-ray study T = 153 K Mean '(C±C) = 0.007 A Ê R factor = 0.050 wR factor = 0.094 Data-to-parameter ratio = 16.7For details of how these key indicators were automatically derived from the article, seeThe hydrated tris(dibenzoylmethanido)(o-phenanthroline)europium(III) complex, [Eu(DBM) 3 (Phen)]ÁxH 2 O, is converted ef®ciently into anhydrous tris(dibenzoylmethanido)(ophenanthroline)europium(III), [Eu(DBM) 3 (Phen)] or [Eu-(C 15 H 11 O 2 ) 3 (C 12 H 8 N 2 )], by heating under vacuum. The title compound has been characterized by FT±IR, 1 H and 13 C NMR spectroscopy, and X-ray diffraction methods. It crystallizes in the triclinic space group P1 with ®ve molecules in the asymmetric unit, without any pseudosymmetry. The trivalent europium ion is eight-coordinate, and the coordination polyhedron can best be described as a slightly distorted square antiprism.
Recently, inorganic copper-based halide perovskites and their derivatives (CHPs) with chemical formulas A
l
Cu
m
X
n
(A = Rb and Cs; X = Cl, Br and I; l, m, and n are integers.), have received increasing attention in the photoluminescence field, due to their lead-free, cost-effective, earth-abundant and low electronic dimensionality. Ascribed to flexible valence charge of Cu (Cu1+ and Cu2+) and complex competing phases, the crystal structures and phase stabilities of CHPs are complicated and ambiguous, which limits their experimental applications. Via comprehensive first-principles calculations, we have investigated thermodynamic stabilities of possible crystal phases for A
l
Cu
m
X
n
by considering all the possible secondary phases existing in inorganic crystal structure database (ICSD). Our results are in agreement with existing experiments and further predicted the existence of 10 stable CHPs, i.e. Rb3Cu2Br5, Rb3Cu2I5, RbCu2Cl3, Rb2CuI3, Rb2CuBr4, RbCuBr3, Rb3Cu2Br7, Cs3Cu2Br7, Cs3Cu2Cl7 and Cs4Cu5Cl9, which have not yet been reported in experiments. This work provides a phase and compositional map that may guide experiments to synthesize more novel inorganic CHPs with diverse properties for potential functional applications.
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