Recently,inorganic copper-based halide perovskites and their derivatives(CHPs)with chemical formulas AlCumXn(A=Rb and Cs;X=Cl,Br and I;l,m,and n are integers.),have received increasing attention in the photoluminescen...Recently,inorganic copper-based halide perovskites and their derivatives(CHPs)with chemical formulas AlCumXn(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 AlCumXn 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.Rb3 Cu2 Br5,Rb3 Cu2 I5,Rb Cu2 Cl3,Rb2 Cu I3,Rb2 Cu Br4,Rb Cu Br3,Rb3 Cu2 Br7,Cs3 Cu2 Br7,Cs3 Cu2 Cl7 and Cs4 Cu5 Cl9,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.展开更多
The As2Te3-based chalcogenide-halide glasses, which are strong candidates for infrared optical fibers, are studied. This paper investigates the glass-forming regions of two quasi-ternary As2Te3-based sys-tems. The gla...The As2Te3-based chalcogenide-halide glasses, which are strong candidates for infrared optical fibers, are studied. This paper investigates the glass-forming regions of two quasi-ternary As2Te3-based sys-tems. The glass-forming abilities are studied by differen-tial thermal analysis(DT A). For the studied compositions, the glass transition temperatures (Tg) of As2Te3-PbTe-HgI2 glasses are higher than those of As2Te3-PbTe-PbI2 glasses and As2Te3-HgI2 glasses. With a wider infrared transmission range and the improvements in the thermal properties of the HgI2 doped glasses, As2Te,-based glass-es may lead to far-IR optical fiber development.展开更多
Copper-based metal halides have become important materials in the feld of X-ray and photodetection due to their excellent optical properties,good environmental stability and low toxicity.This review presents the progr...Copper-based metal halides have become important materials in the feld of X-ray and photodetection due to their excellent optical properties,good environmental stability and low toxicity.This review presents the progress of research on crystal structure/morphology,photophysics/optical properties and applications of copper-based metal halides.We also discuss the challenges of copper-based metal halides with a perspective of their future research directions.展开更多
A new ternary alkali metal chalcogenide halide, K3SI, has been synthesized by solid state reaction method and structurally characterized by X-ray crystallography. The crystal belongs to hexagonal, space group P63cm wi...A new ternary alkali metal chalcogenide halide, K3SI, has been synthesized by solid state reaction method and structurally characterized by X-ray crystallography. The crystal belongs to hexagonal, space group P63cm with a = 11.699（I ）, c = 5.8279（9） A°, Mr = 276.26, V = 690.8（1 ）A°^ 3, Z = 6, D, = 3.985 g/cm^3, F（000） = 756, μ = 9.913 mm^-1, S = 1.004, R = 0.0719 and wR = 0.2204. The title compound is the first example containing S anion in the ternary alkali metal chalcogenide halides family M3QX （M = alkali metal, Q = chalcogenide, X - halide）, which crystallizes in the hexagonal anti-perovskite structure type.展开更多
基金funding support from National Natural Science Foundation of China(grant No.11674237 and 51602211)National Key Research and Development Program of China(grant No.2016YFB0700700)+2 种基金Natural Science Foundation of Jiangsu Province of China(grant No.BK20160299)the Priority Academic Program Development of Jiangsu Higher Education Institutions(PAPD)China Post-doctoral Foundation(grant No.7131705619).
文摘Recently,inorganic copper-based halide perovskites and their derivatives(CHPs)with chemical formulas AlCumXn(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 AlCumXn 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.Rb3 Cu2 Br5,Rb3 Cu2 I5,Rb Cu2 Cl3,Rb2 Cu I3,Rb2 Cu Br4,Rb Cu Br3,Rb3 Cu2 Br7,Cs3 Cu2 Br7,Cs3 Cu2 Cl7 and Cs4 Cu5 Cl9,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.
基金This work was financially supported by the National Natural Science Foundation of China, No. 69577015the Education Committee of China Foundation for the Excellent Youth Teachers
文摘The As2Te3-based chalcogenide-halide glasses, which are strong candidates for infrared optical fibers, are studied. This paper investigates the glass-forming regions of two quasi-ternary As2Te3-based sys-tems. The glass-forming abilities are studied by differen-tial thermal analysis(DT A). For the studied compositions, the glass transition temperatures (Tg) of As2Te3-PbTe-HgI2 glasses are higher than those of As2Te3-PbTe-PbI2 glasses and As2Te3-HgI2 glasses. With a wider infrared transmission range and the improvements in the thermal properties of the HgI2 doped glasses, As2Te,-based glass-es may lead to far-IR optical fiber development.
基金funded by the National Natural Science Foundation of China(Grant Nos.22279049 and 52073131)the Fundamental Research Funds for the Central Universities(Nos.lzujbky-2021-ct15 and lzujbky-2021-sp69).
文摘Copper-based metal halides have become important materials in the feld of X-ray and photodetection due to their excellent optical properties,good environmental stability and low toxicity.This review presents the progress of research on crystal structure/morphology,photophysics/optical properties and applications of copper-based metal halides.We also discuss the challenges of copper-based metal halides with a perspective of their future research directions.
基金We gratefully acknowledge the financial support of the NSF of China (20131020), the NSF for Distinguished Young Scientist of China (20425104) and the NSF of Fujian Province (Z0513020).
文摘A new ternary alkali metal chalcogenide halide, K3SI, has been synthesized by solid state reaction method and structurally characterized by X-ray crystallography. The crystal belongs to hexagonal, space group P63cm with a = 11.699（I ）, c = 5.8279（9） A°, Mr = 276.26, V = 690.8（1 ）A°^ 3, Z = 6, D, = 3.985 g/cm^3, F（000） = 756, μ = 9.913 mm^-1, S = 1.004, R = 0.0719 and wR = 0.2204. The title compound is the first example containing S anion in the ternary alkali metal chalcogenide halides family M3QX （M = alkali metal, Q = chalcogenide, X - halide）, which crystallizes in the hexagonal anti-perovskite structure type.
