首页 > 论文 > 激光与光电子学进展 > 55卷 > 6期(pp:61603--1)

镧与铈共掺杂对锐钛矿相二氧化钛电子结构及光学性能的影响

Effect of Lanthanum and Cerium Co-Doping on Electronic Structure and Optical Properties of Anatase Tianium Dioxide

  • 摘要
  • 论文信息
  • 参考文献
  • 被引情况
  • PDF全文
分享:

摘要

采用第一性原理, 研究了La、Ce单掺杂及La-Ce共掺杂对TiO2电子结构、差分电荷密度、态密度、光学性能的影响。研究结果表明, 由于La 5d电子态、Ce 4f电子态及Ti 3d电子态间的协同作用, La-Ce共掺杂相比于单掺杂的TiO2导带下移更大, 带隙更小, 吸收光谱红移更明显, 光催化性能更优异。

Abstract

The effects of La/Ce single-doping and co-doping on the electronic structure, differential charge density, density of states and optical properties of TiO2 are investigated based on the first principle method. The results show that, because of the synergistic action among La 5d, Ce 4f, and Ti 3d electronic states, as for the TiO2 under La-Ce co-doping, the downward shift of the conduction band is larger, the band gap is smaller, the redshift of the absorption spectrum is more obvious, and the photocatalytic performance is better than the corresponding ones under single-doping.

Newport宣传-MKS新实验室计划
补充资料

中图分类号:O472+.3

DOI:10.3788/lop55.061603

所属栏目:材料

基金项目:贵州省科技厅、 黔东南州科技局、凯里学院科技合作协议项目(黔科合LH字[2016]7318)、贵州省普通高等学校创新人才团队项目(黔教合人才团队字[2012]06)、凯里学院青年课题(Z1123)

收稿日期:2017-10-10

修改稿日期:2017-11-23

网络出版日期:--

作者单位    点击查看

谭永前:凯里学院大数据工程学院, 贵州 凯里 556011
曾凡菊:凯里学院大数据工程学院, 贵州 凯里 556011重庆大学光电工程学院, 重庆 400044

联系人作者:曾凡菊(z-f-j-1@163.com)

备注:谭永前(1984-), 男, 硕士, 讲师, 主要从事信号与信息处理、光电材料方面的研究。E-mail: tanyongqian1@163.com

【1】Fang J W, Fan H Q, Zhu Z Y, et al. "Dyed" graphitic carbon nitride with greatly extended visible-light-responsive range for hydrogen evolution[J]. Journal of Catalysis, 2016, 339: 93-101.

【2】Liu G C, Fan H Q, Xu J, et al. Colossal permittivity and impedance analysis of niobium and aluminum co-doped TiO2 ceramics[J]. RSC Advances, 2016, 6(54): 48708-48714.

【3】Song N, Fan H Q, Tian H L. Reduced graphene oxide/ZnO nanohybrids: Metallic Zn powder induced one-step synthesis for enhanced photocurrent and photocatalytic response[J]. Applied Surface Science, 2015, 353: 580-587.

【4】Chen X B, Burda C. The electronic origin of the visible-light absorption properties of C-, N- and S-doped TiO2 nanomaterials[J]. Journal of the American Chemical Society, 2008, 130(15): 5018-5019.

【5】In S, Orlov A, Berg R, et al. Effective visible light-activated B-doped and B, N-codoped TiO2 photocatalysts[J]. Journal of the American Chemical Society, 2007, 129(45): 13790-13791.

【6】Luu C L, Nguyen Q T, Ho S T. Synthesis and characterization of Fe-doped TiO2 photocatalyst by the sol-gel method[J]. Advances in Natural Sciences: Nanoscience and Nanotechnology, 2010, 1(1): 015008.

【7】You M, Kim T G, Sung Y-M. Synthesis of Cu-doped TiO2 nanorods with various aspect ratios and dopant concentrations[J]. Crystal Growth Design, 2010, 10(2): 983-987.

【8】Park M S, Kwon S K, Min B I. Electronic structures of doped anatase TiO2∶Ti1-xMxO2 (M=Co, Mn, Fe, Ni)[J]. Physical Review B, 2002, 65(16): 161201.

【9】Ao T G, Hou Q Y, Ying C. Effects of high La doping anatase TiO2 on electronic structure and absorption spectrum from first principles[J]. Titanium, 2011, 1(29): 13-18.
敖特根, 侯清玉, 迎春. La高掺杂对锐钛矿相TiO2电子结构和吸收光谱影响的第一性原理研究[J]. 钛工业进展, 2012, 1(29): 13-18.

【10】Kang J L, Yao L F, Yang S L, et al. Preparation and photocatalytic activity of Ce-doped TiO2 composite nanometer[J]. Journal of Synthetic Crystals, 2013, 4(42): 671-676.
康俊龙, 姚兰芳, 杨松林, 等. Ce掺杂TiO2纳米复合薄膜的制备及光催化活性[J]. 人工晶体学报, 2013, 4(42): 671-676.

【11】Wei Z G, Pan Z C, Xu G, et al. First-principles study of Gd-doped anatase TiO2[J]. Journal of Materials Science & Engineering, 2011, 2(29): 217-220.
魏志刚, 潘湛昌, 徐阁, 等. Gd掺杂锐钛矿的第一性原理研究[J]. 材料科学与工程学报, 2011, 2(29): 217-220.

【12】Zheng S K, Wu G H, Liu L, et al. Effects of La/S co-doping on the electronic structures of anatase TiO2[J]. Scientia Sinica: Physica, Mechanica & Astronomica, 2013, 3(43): 263-269.
郑树凯, 吴国浩, 刘磊, 等. La/S共掺杂对锐钛矿相TiO2电子结构的影响[J]. 中国科学: 物理学 力学 天文学, 2013, 3(43): 263-269.

【13】Zeng F J, Tan Y Q, Liang D M, et al. First-principle study on Ce/S co-doped anatase TiO2[J]. Laser & Optoelectronics Progress, 2016, 53(6): 061601.
曾凡菊, 谭永前, 梁冬梅, 等. Ce/S共掺杂锐钛矿型TiO2的第一性原理研究[J]. 激光与光电子学进展, 2016, 53(6): 061601.

【14】Li C, Hou Q Y, Zhang Z D, et al. First-principles study on the electronic structures and absorption spectra of Sm-N co-doped anatase TiO2[J]. Acta Physica Sinica, 2012, 61(16): 167103.
李聪, 侯清玉, 张振铎, 等. Sm-N共掺杂对锐钛矿相TiO2的电子结构和吸收光谱影响的第一性原理研究[J]. 物理学报, 2012, 61(16): 167103.

【15】Nasira M, Bagwasia S, Jiao Y C, et al. Characterization and activity of the Ce and N co-doped TiO2 prepared through hydrothermal method[J]. Chemical Engineering Journal, 2014, 236: 388-397.

【16】Zeng F J, Tan Y Q, Yu Y S, et al. Electronic structure and optical property of Ag-Ce co-doped anatase TiO2[J]. Laser & Optoelectronics Progress, 2017, 54(7): 071601.
曾凡菊, 谭永前, 余幼胜, 等. Ag-Ce共掺杂锐钛矿型TiO2的电子结构与光学性质[J]. 激光与光电子学研究进展, 2017, 54(7): 071601.

【17】Chen Q F, Jiang D, Shi W M, et al. Visible-light-activated Ce-Si co-doped TiO2 photocatalyst[J]. Applied Surface Science, 2009, 255(18): 7918-7924.

【18】Li G H, Wang A F, Zhang L Y, et al. Preparation of La-Ce codoped TiO2 nanoparticles and their photocatalytic performance under energy saving light[J]. Chinese Ceramics, 2015, 51(2): 54-60.
李桂花, 王安峰, 张利英, 等. La-Ce共掺杂TiO2粉体的制备及节能灯光催化性能研究[J]. 中国陶瓷, 2015, 51(2): 54-60.

【19】Asahi R, Taga Y, Mannstadt W, et al. Electronic and optical properties of anatase TiO2[J]. Physical Review B, 2000, 61(11): 7459-7465.

【20】Zhang S L, Chen H H, Li H L, et al. Current state and prospect of ambient phosphating technique[J]. Materials Protection, 2006, 39(7): 42-47.
张圣麟, 陈华辉, 李红玲, 等. 常温磷化处理技术的研究现状及展望[J]. 材料保护, 2006, 39(7): 42-47.

引用该论文

Tan Yongqian,Zeng Fanju. Effect of Lanthanum and Cerium Co-Doping on Electronic Structure and Optical Properties of Anatase Tianium Dioxide[J]. Laser & Optoelectronics Progress, 2018, 55(6): 061603

谭永前,曾凡菊. 镧与铈共掺杂对锐钛矿相二氧化钛电子结构及光学性能的影响[J]. 激光与光电子学进展, 2018, 55(6): 061603

您的浏览器不支持PDF插件,请使用最新的(Chrome/Fire Fox等)浏览器.或者您还可以点击此处下载该论文PDF