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Sintering‐driven effects on the band gap of (Pb,La)(Ti,Ni)O3 photovoltaic ceramics
Journal of the American Ceramic Society ( IF 3.9 ) Pub Date : 2021-01-07 , DOI: 10.1111/jace.17682 Natália F. C. Vargas 1 , Mahmoud S. Alkathy 2 , José A. Eiras 2 , Valmor Roberto Mastelaro 3 , Manuel H. Lente 1
Journal of the American Ceramic Society ( IF 3.9 ) Pub Date : 2021-01-07 , DOI: 10.1111/jace.17682 Natália F. C. Vargas 1 , Mahmoud S. Alkathy 2 , José A. Eiras 2 , Valmor Roberto Mastelaro 3 , Manuel H. Lente 1
Affiliation
In this work, the influence of the sintering temperature on the physical properties of (Pb0.8La0.2)(Ti0.9Ni0.1)O3 (PLT‐Ni) ceramics is reported. The experimental data revealed that the energy band gap of PLT‐Ni ceramics could be tailored from approximately 2.7 to 2.0 eV by changing the sintering temperature from 1100°C to 1250°C. It is demonstrated that the simple substitution of Ti4+ by Ni2+ cations is effective to decrease the intrinsic band gap while increasing the tetragonality factor and the spontaneous polarization. However, the additional red‐shift observed in the absorption edge of the PLT‐Ni with increasing the sintering temperature was associated with a continuous increase in the oxygen vacancies () amount. It is believed that the impact of the creation of these thermally induced is manifold. The presence of and Ni2+ ions generate the Ni2+‐ defect‐pairs that promoted both a decrease in the intrinsic band gap and an additional increase of the tetragonality factor, consequently, increasing the spontaneous polarization. The creation of Ni2+‐ defects also changed the local symmetry of Ni2+ ions from octahedral to a square pyramid, thus lifting the degeneracy of the Ni2+ 3d orbitals. With the increase in the sintering temperature, lower‐energy absorbing intraband states were also formed due to an excess of , being responsible for an add‐on shoulder in the absorption edge, extending the light absorption curve to longer wavelengths and leading to an additional absorption in “all investigated” spectrum as well.
中文翻译:
烧结对(Pb,La)(Ti,Ni)O3光伏陶瓷带隙的影响
在这项工作中,报道了烧结温度对(Pb 0.8 La 0.2)(Ti 0.9 Ni 0.1)O 3(PLT-Ni)陶瓷的物理性能的影响。实验数据表明,通过将烧结温度从1100°C更改为1250°C,可以将PLT-Ni陶瓷的能带隙调整为大约2.7至2.0 eV。已经证明,将Ti的简单的替代4+的Ni 2+阳离子可有效减少固有带隙,同时增加四方性因子和自发极化。但是,随着烧结温度的升高,在PLT-Ni的吸收边缘观察到的额外红移与氧空位()量的持续增加有关。据信,这些热诱导的产生的影响是多方面的。Ni和Ni 2+离子的存在会产生Ni 2 + -缺陷对,从而促进本征带隙的减小和四方因数的增加,从而增加自发极化。Ni的创作2+ -缺陷还将Ni 2+离子的局部对称性从八面体变为方形金字塔,从而提升了Ni 2+ 3 d轨道的简并性。随着烧结温度的升高,由于过量的,也形成了较低能量吸收的带内状态,这导致了吸收边缘的附加肩部,将光吸收曲线扩展到更长的波长并导致了额外的吸收在“所有调查的”范围内。
更新日期:2021-01-07
中文翻译:
烧结对(Pb,La)(Ti,Ni)O3光伏陶瓷带隙的影响
在这项工作中,报道了烧结温度对(Pb 0.8 La 0.2)(Ti 0.9 Ni 0.1)O 3(PLT-Ni)陶瓷的物理性能的影响。实验数据表明,通过将烧结温度从1100°C更改为1250°C,可以将PLT-Ni陶瓷的能带隙调整为大约2.7至2.0 eV。已经证明,将Ti的简单的替代4+的Ni 2+阳离子可有效减少固有带隙,同时增加四方性因子和自发极化。但是,随着烧结温度的升高,在PLT-Ni的吸收边缘观察到的额外红移与氧空位()量的持续增加有关。据信,这些热诱导的产生的影响是多方面的。Ni和Ni 2+离子的存在会产生Ni 2 + -缺陷对,从而促进本征带隙的减小和四方因数的增加,从而增加自发极化。Ni的创作2+ -缺陷还将Ni 2+离子的局部对称性从八面体变为方形金字塔,从而提升了Ni 2+ 3 d轨道的简并性。随着烧结温度的升高,由于过量的,也形成了较低能量吸收的带内状态,这导致了吸收边缘的附加肩部,将光吸收曲线扩展到更长的波长并导致了额外的吸收在“所有调查的”范围内。