Synergistic Effects of Intrinsic Cation Disorder and Electron-Deficient Substitution on Ion and Electron Conductivity in La1-xSrxCo0.5Mn0.5O3-delta (x=0, 0.5, and 0.75)

	Synergistic Effects of Intrinsic Cation Disorder and Electron-Deficient Substitution on Ion and Electron Conductivity in La1-xSrxCo0.5Mn0.5O3-delta (x=0, 0.5, and 0.75)
	Meng,Junlong; Yuan,Na; Liu,Xiaojuan; Yao,Chuangang; Liang,Qingshuang; Zhou,Defeng; Meng,Fanzhi; Meng,Jian
刊名	inorganic chemistry
	2015
卷号	54 期号:6 页码:2820-2829
关键词	OXIDE FUEL-CELLS BRILLOUIN-ZONE INTEGRATIONS AUGMENTED-WAVE METHOD DOUBLE-PEROVSKITE ANTISITE DEFECTS HIGH-PERFORMANCE CATHODES MAGNETORESISTANCE LA2COMNO6 SERIES
通讯作者	liu,xj
英文摘要	the effects of intrinsic cation disorder and electron-deficient substitution for la1-xsrxco0.5mn0.5o3-delta (lscm, x = 0, 0.5, and 0.75) on oxygen vacancy formation, and their influence on the electrochemical properties, were revealed through a combination of computer simulation and experimental study. first-principles calculations were first performed and found that the tendency of the oxygen vacancy formation energy was mn3+-o-mn4+ < co2+-o-co3+ < co2+-o*-mn4+, meaning that antisite defects not only facilitate the formation of oxygen vacancy but introduce the mixed-valent transition-metal pairs for high electrical conductivity. detailed partial density of states (pdos) analysis for mn on co sites (mn-co) and co on mn sites (co-mn) indicate that co2+ is prone to being co3+ while mn4+ is prone to being mn3+ when they are on antisites, respectively. also it was found that the holes introduced by sr tend to enter the co sublattice for x = 0.5 and then the o sublattice when x = 0.75, which further promotes oxygen vacancy formation, and these results are confirmed by both the calculated pdos results and charge-density difference. on the basis of microscopic predictions, we intentionally synthesized a series of pure lscm compounds and carried out comprehensive characterization. the crystal structures and their stability were characterized via powder x-ray rietveld refinements and in situ high-temperature x-ray diffraction. x-ray photoelectron spectroscopy testified to the mixed oxidation states of co2+/co3+ and mn3+/mn4+. the thermal expansion coefficients were found to match the ce0.8sm0.2o2-delta electrolyte well. the electrical conductivities were about 41.4, 140.5, and 204.2 s cm(-1) at doping levels of x = 0, 0.5, and 0.75, and the corresponding impedances were 0.041, 0.027, and 0.022 omega cm(2) at 850 degrees c, respectively. all of the measured results testify that sr-doped laco0.5mn0.5o3 compounds are promising cathode materials for intermediate-temperature solid oxide fuel cells.
收录类别	SCI
语种	英语
WOS记录号	WOS:000351325200036
公开日期	2016-05-31
内容类型	期刊论文
源URL	[http://ir.ciac.jl.cn/handle/322003/65069]
专题	长春应用化学研究所_长春应用化学研究所知识产出_期刊论文
推荐引用方式 GB/T 7714	Meng,Junlong,Yuan,Na,Liu,Xiaojuan,et al. Synergistic Effects of Intrinsic Cation Disorder and Electron-Deficient Substitution on Ion and Electron Conductivity in La1-xSrxCo0.5Mn0.5O3-delta (x=0, 0.5, and 0.75)[J]. inorganic chemistry,2015,54(6):2820-2829.
APA	Meng,Junlong.,Yuan,Na.,Liu,Xiaojuan.,Yao,Chuangang.,Liang,Qingshuang.,...&Meng,Jian.(2015).Synergistic Effects of Intrinsic Cation Disorder and Electron-Deficient Substitution on Ion and Electron Conductivity in La1-xSrxCo0.5Mn0.5O3-delta (x=0, 0.5, and 0.75).inorganic chemistry,54(6),2820-2829.
MLA	Meng,Junlong,et al."Synergistic Effects of Intrinsic Cation Disorder and Electron-Deficient Substitution on Ion and Electron Conductivity in La1-xSrxCo0.5Mn0.5O3-delta (x=0, 0.5, and 0.75)".inorganic chemistry 54.6(2015):2820-2829.