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Substitutional Doping for Aluminosilicate Mineral and Superior Water Splitting Performance

机译:铝硅酸盐矿物的替代掺杂和优异的水分解性能

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摘要

Substitutional doping is a strategy in which atomic impurities are optionally added to a host material to promote its properties, while the geometric and electronic structure evolution of natural nanoclay mineral upon substitutional metal doping is still ambiguous. This paper first designed an efficient lanthanum (La) doping strategy for nanotubular clay (halloysite nanotube, HNT) through the dynamic equilibrium of a substitutional atom in the presence of saturated AlCl3 solution, and systematic characterization of the samples was performed. Further density functional theory (DFT) calculations were carried out to reveal the geometric and electronic structure evolution upon metal doping, as well as to verify the atom-level effect of the La doping. The CdS loading and its corresponding water splitting performance could demonstrate the effect of La doping. CdS nanoparticles (11 wt.%) were uniformly deposited on the surface of La-doped halloysite nanotube (La-HNT) with the average size of 5 nm, and the notable photocatalytic hydrogen evolution rate of CdS/La-HNT reached up to 47.5 μmol/h. The results could provide a new strategy for metal ion doping and constructive insight into the substitutional doping mechanism.Electronic supplementary materialThe online version of this article (doi:10.1186/s11671-017-2192-8) contains supplementary material, which is available to authorized users.
机译:替代掺杂是一种策略,其中原子杂质可任选地添加到主体材料中以提高其性能,而天然纳米粘土矿物在替代金属掺杂时的几何和电子结构演变仍然是模棱两可的。本文首先通过在饱和AlCl3溶液存在下的取代原子动态平衡为纳米管粘土(卤化物纳米管,HNT)设计了一种有效的镧(La)掺杂策略,并对样品进行了系统表征。进行了进一步的密度泛函理论(DFT)计算,以揭示金属掺杂时几何结构和电子结构的演变,以及验证La掺杂的原子级效应。 CdS负载量及其相应的水分解性能可以证明La掺杂的影响。 CdS纳米粒子(11 wt。%)均匀沉积在La掺杂的埃洛石纳米管(La-HNT)的表面上,平均尺寸为5 nm,CdS / La-HNT的显着光催化氢释放速率达到47.5 μmol/ h。该结果可为金属离子掺杂和替代掺杂机理的建设性见解提供新的策略。电子补充材料本文的在线版本(doi:10.1186 / s11671-017-2192-8)包含补充材料,可授权使用用户。

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