Structural dependence of the photocatalytic properties of double perovskite compounds A(2)InTaO(6) (A = Sr or Ba) doped with nickel

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	Structural dependence of the photocatalytic properties of double perovskite compounds A(2)InTaO(6) (A = Sr or Ba) doped with nickel
	Lv, ML; Wang, YW; Lu, LW; Wang, RN; Ni, S; Liu, G; Xu, XX; Xu, XX (reprint author), Tongji Univ, Dept Chem, Shanghai Key Lab Chem Assessment & Sustainabil, 1239 Siping Rd, Shanghai 200092, Peoples R China.
	2016-08-31
发表期刊	PHYSICAL CHEMISTRY CHEMICAL PHYSICS
ISSN	1463-9076
卷号	18 期号:31 页码:21491-21499
摘要	The crystal structure of photocatalysts generally plays a pivotal role in controlling their electronic structure as well as catalytic performance. In this work, a series of double perovskite compounds A(2)InTaO(6) (A = Sr or Ba) and their Ni doped counterparts were investigated with the aim of understanding how doping and structural modification will affect their photocatalytic activity. Our results show that Ni doping is effective in improving the optical absorption of these wide band gap semiconductors and accommodating the Sr cation in the A sites leads to severe structural distortion, i.e. the In(Ni)-O-Ta bond angle deviates largely from 180 degrees. A better photocatalytic performance was observed for samples with Ni doping and Ba in the A sites. The best photocatalytic hydrogen production rate recorded was similar to 293.6 mu mol h(-1) for Ba2In0.9Ni0.1TaO6 under full range irradiation, corresponding to an apparent quantum efficiency of 2.75%. DFT calculations reveal the role of Ni doping by forming additional spin-polarized bands inside the intrinsic band gap of the native perovskite. The better photocatalytic activity of Ba2In0.9Ni0.1TaO6 can then be understood as a result of a reduced band gap as well as a linear In(Ni)-O-Ta bond arrangement that is favorable for the strong metal-oxygen-metal interactions.
部门归属	[lv, meilin ; wang, yawei ; lu, lingwei ; wang, ruinan ; xu, xiaoxiang] tongji univ, dept chem, shanghai key lab chem assessment & sustainabil, 1239 siping rd, shanghai 200092, peoples r china ; [ni, shuang] china acad engn phys, laser fus res ctr, sci & technol plasma phys lab, mianyang 621900, peoples r china ; [liu, gang] chinese acad sci, inst met res, shenyang natl lab mat sci, 72 wenhua rd, shenyang 110016, peoples r china
学科领域	Chemistry, Physical ; Physics, Atomic, Molecular & Chemical
资助者	Young Scientists Fund of the National Natural Science Foundation of China [21401142]; Shanghai Science and Technology Commission [14DZ2261100]; Fundamental Research Funds for the Central Universities
收录类别	sci
语种	英语
WOS记录号	WOS:000381418000058
引用统计	被引频次：35[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/76295
专题	中国科学院金属研究所
通讯作者	Xu, XX (reprint author), Tongji Univ, Dept Chem, Shanghai Key Lab Chem Assessment & Sustainabil, 1239 Siping Rd, Shanghai 200092, Peoples R China.
推荐引用方式 GB/T 7714	Lv, ML,Wang, YW,Lu, LW,et al. Structural dependence of the photocatalytic properties of double perovskite compounds A(2)InTaO(6) (A = Sr or Ba) doped with nickel[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2016,18(31):21491-21499.
APA	Lv, ML.,Wang, YW.,Lu, LW.,Wang, RN.,Ni, S.,...&Xu, XX .(2016).Structural dependence of the photocatalytic properties of double perovskite compounds A(2)InTaO(6) (A = Sr or Ba) doped with nickel.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,18(31),21491-21499.
MLA	Lv, ML,et al."Structural dependence of the photocatalytic properties of double perovskite compounds A(2)InTaO(6) (A = Sr or Ba) doped with nickel".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.31(2016):21491-21499.