A new oxide CaCr0.5Fe0.5O3 was prepared under high pressure and temperature conditions. It crystallizes in a B-site disordered Pbnm perovskite structure. The charge combination is determined to be Cr^5＋/Fe^3＋ with t...A new oxide CaCr0.5Fe0.5O3 was prepared under high pressure and temperature conditions. It crystallizes in a B-site disordered Pbnm perovskite structure. The charge combination is determined to be Cr^5＋/Fe^3＋ with the presence of unusual Cr^5＋ state in octahedral coordination, although Cr^4＋ and Fe^4＋ occur in the related perovskites CaCrO3 and CaFeO3. The randomly distributed Cr^5＋ and Fe^3＋ spins lead to short-range ferromagnetic coupling, whereas an antiferromagnetic phase transition takes place near 50 K due to the Fe^3＋-O-Fe^3＋ interaction. In spite of the B-site Cr^5＋/Fe^3＋ disorder, the compound exhibits electrical insulating behavior. First-principles calculations further demonstrate the formation of CaCr0.5^5＋Fe0.5O3 charge combination, and the electron correlation effect of Fe^3＋ plays an important role for the insulting ground state. CaCr0.5Fe0.5O3 provides the first Cr^5＋ perovskite system with octahedral coordination, opening a new avenue to explore novel transition-metal oxides with exotic charge states.展开更多
This study investigates biogeochemical reductive release of arsenate from beudantite into solution in a crater area in northern Taiwan,using a combination of X-ray absorption near-edge structure （XANES） and atomic a...This study investigates biogeochemical reductive release of arsenate from beudantite into solution in a crater area in northern Taiwan,using a combination of X-ray absorption near-edge structure （XANES） and atomic absorption spectrometry.Total arsenic （As） concentrations in the soil were more than 200 mg/kg.Over four months of laboratory experiments,less than 0.8% As was released into solution after reduction experiments.The 71% to 83% As was chemically reduced into arsenite （As（III）） and partially weathering into the soluble phase.The kinetic dissolution and re-precipitation of As,Fe,Pb and sulfate in this area of paddy soils merits further study.展开更多
基金Project supported by the National Natural Science Foundation of China(Grant Nos.11574378,51772324,and 61404052)the National Basic Research Program of China(Grant No.2014CB921500)the Chinese Academy of Sciences(Grant Nos.YZ201555,QYZDB-SSW-SLH013,GJHZ1773,and XDB07030300)
文摘A new oxide CaCr0.5Fe0.5O3 was prepared under high pressure and temperature conditions. It crystallizes in a B-site disordered Pbnm perovskite structure. The charge combination is determined to be Cr^5＋/Fe^3＋ with the presence of unusual Cr^5＋ state in octahedral coordination, although Cr^4＋ and Fe^4＋ occur in the related perovskites CaCrO3 and CaFeO3. The randomly distributed Cr^5＋ and Fe^3＋ spins lead to short-range ferromagnetic coupling, whereas an antiferromagnetic phase transition takes place near 50 K due to the Fe^3＋-O-Fe^3＋ interaction. In spite of the B-site Cr^5＋/Fe^3＋ disorder, the compound exhibits electrical insulating behavior. First-principles calculations further demonstrate the formation of CaCr0.5^5＋Fe0.5O3 charge combination, and the electron correlation effect of Fe^3＋ plays an important role for the insulting ground state. CaCr0.5Fe0.5O3 provides the first Cr^5＋ perovskite system with octahedral coordination, opening a new avenue to explore novel transition-metal oxides with exotic charge states.
基金supported by the "National" Science Council,Taiwan(No.NSC100-2313-B002-007)
文摘This study investigates biogeochemical reductive release of arsenate from beudantite into solution in a crater area in northern Taiwan,using a combination of X-ray absorption near-edge structure （XANES） and atomic absorption spectrometry.Total arsenic （As） concentrations in the soil were more than 200 mg/kg.Over four months of laboratory experiments,less than 0.8% As was released into solution after reduction experiments.The 71% to 83% As was chemically reduced into arsenite （As（III）） and partially weathering into the soluble phase.The kinetic dissolution and re-precipitation of As,Fe,Pb and sulfate in this area of paddy soils merits further study.
