Recent progress in the development of RE_(2)TMTM’O_(6)double perovskite oxides for cryogenic magnetic refrigeration

The magnetic functional materials play a particularly important role in our modern society and daily life.The magnetocaloric effect(MCE)is at the basis of a solid state magnetic refrigeration(MR)technology which may enhance the efficiency of cooling systems,both for room temperature and cryogenic appli-cations.Despite numerous experimental and theoretical MCE studies,commercial MR systems are still at developing stage.Designing magnetic solids with outstanding magnetocaloric performances remains therefore a most urgent task.Herein,recent progresses on characterizing the crystal structure,magnetic properties and cryogenic MCE of rare earths(RE)-based RE_(2)TMTM’O_(6)double perovskite(DP)oxides,where TM and TM’are different 3d transition metals,are summarized.Some Gd-based DP oxides are found to exhibit promising cryogenic magnetocaloric performances which make them attractive for active MR ap-plications.

High-throughput computational screening of oxide double perovskites for optoelectronic and photocatalysis applications

Oxide double perovskites A2 B’B"O6 are a class of emerging materials in the fields of optoelectronics and catalysis.Due to the chemical flexibilities of perovskite structures,there are multiple elemental combinations of cations A,B’,and B",which leading to tremendous candidates.In this study,we comprehensively screened stable oxide double perovskite A2 B’B"O6 from a pool of 2,018 perovskite candidates using a high-throughput computational approach.By considering a tolerance factor(t)-octahedral factor(μ) phase diagram,138 candidates with Fm 3 m, P21/c,and R3 c phases were selected and systematically studied via first-principles calculations based on density functional theory.The screening procedure finally predicted the existence of 21 stable perovskites,and 14 among them have never been reported.Verification with existing experimental results demonstrates that the prediction accuracy for perovskite formability is approximately 90%.The predicted oxide double perovskites exhibit quasi-direct bandgaps ranging from 0 to 4.4 eV with a significantly small direct-indirect bandgap difference,balanced electron and hole effective masses,and strong optical absorptions.The newly predicted oxide double perovskites may enlarge the pool of material candidates for applications in optoelectronics and photocatalysis.This study provides a route for computational screening of novel perovskites for functional applications.

High-pressure synthesis, characterization, and equation of state of double perovskite Sr_2CoFeO_6

Double perovskite oxide Sr2 Co Fe O6（SCFO） has been obtained using a high-pressure and high-temperature（HPHT）synthesis method. Valence states of Fe and Co and their distributions in SCFO were examined with X-ray photoelectron spectroscopy. The electric transport behavior of SCFO showed a semiconductor behavior that can be well described by Mott＇s law for variable-range hopping conduction. The structural stability of SCFO was investigated at pressures up to 31 GPa with no pressure-induced phase transition found. Bulk modulus B0 was determined to be 163（2） GPa by fitting the pressure–volume data to the Birch–Murnaghan equation of state.

Double perovskite anti-supported rare earth oxide catalyst CeO_(2)/La_(2)CoFeO_(6)for efficient ventilation air methane combustion

Ventilation air methane is one of available resources with a massive reserve.However,most of ventilation air methane is discharged into the air and pollutes the environment.Catalysts with high temperature resistance(>800℃)for ventilation air methane are very essential for utilization of the ventilation air methane.We mainly prepared catalysts CeO_(2)/La_(2)CoFeO_(6)and La_(2)CoFeO_(6)/CeO_(2)and comparative samples CeO_(2)and La_(2)CoFeO_(6)by the simple sol-gel method and calcined them under 9000C,and tested the catalytic performance of ventilation air methane combustion under the condition of 5 vol%H_(2)O.The experimental results show that the light-off temperature(T_(1O))and complete combustion temperature(T_(90))of the ventilation air methane combustion reaction of CeO_(2)/La_(2)CoFeO_(6)catalyst are 417.4 and 587.7℃,respectively.T_(1O)and Tgo of La_(2)CoFeO_(6)/CeO_(2)only reach 425.5 and 615.8℃.The T_(10)and T_(9O)of CeO_(2)/La_(2)CoFeO_(6)are 417.4 and 587.7℃,which are lower than those of La_(2)CoFeO_(6)[T_(10)=452.4℃and T_(90)=673.0℃)and La_(2)CoFeO_(6)/CeO_(2)(T_(10)=425.5℃and T_(90)=615.8℃).Therefore,the catalytic performance of the anti-supported rare earth oxide catalyst CeO_(2)/La_(2)CoFeO_(6)is better than that of La_(2)CoFeO_(6)and supported catalyst La_(2)CoFeO_(6)/CeO_(2).

Oxide perovskite Ba_(2)AgIO_(6)wafers for X-ray detection

X-ray detection is of great significance in biomedical,nondestructive,and scientific research.Lead halide perovskites have recently emerged as one of the most promising materials for direct X-ray detection.However,the lead toxicity remains a worrisome concern for further commercial application.Great efforts have been made to search for lead-free perovskites with similar optoelectronic properties.Here,we present a lead-free oxide double perovskite material Ba2AgIO6 for X-ray detection.The lead-free,all-inorganic nature,as well as the high density of Ba2AgIO6,promises excellent prospects in X-ray applications.By employing the hydrothermal method,we successfully synthesized highly crystalline Ba2AgIO6 powder with pure phase.Furthermore,we prepared Ba2AgIO6 wafers through isostatic pressure and built X-ray detectors with Au/Ba2AgIO6 wafer/Au photoconductive structure.The as-prepared X-ray detectors showed a sensitivity of 18.9μC/(Gyair$cm2)at 5 V/mm,similar to commercialα-Se detectors showcasing their advantages for X-ray detection.