| First-principle study on optical properties of N-La-codoped anatase TiO | |
| Department | 固体润滑国家重点实验室 |
Wang Q(王青)1; Liang JF(梁纪锋)1; Zhang RH(张仁辉)2 ; Li Q(李强)3; Dai JF(戴剑锋)1; Wang Q(王青)
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| 2013 | |
| Source Publication | Chinese Physics B
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| ISSN | 1674-1056 |
| Volume | 22Issue:5Pages:057801(1-4) |
| Abstract | The electronic structures, deformation charge density, dipole moment, and optical properties of N-La-codoped anatase titanium dioxide (TiO2) are studied using the plane-wave ultrasoft pseudopotential method based on the density functional theory (DFT). The optical properties of two-ion-doped TiO2 are analyzed via electronic structures, deformation charge density, and dipole moment. For the model of N-La-doped TiO2, a smaller atom fraction of N and La atoms induces better optical properties. The absorption edges of two doped TiO2 models redshift to the visible-light region. |
| Keyword | Optical Property First-principle Study Electronic Structure Deformation Charge Density |
| Subject Area | 材料科学与物理化学 |
| DOI | 10.1088/1674-1056/22/5/057801 |
| Funding Organization | the National Natural Science Foundation of China (Grant No. 50873047) |
| Indexed By | SCI |
| If | 1.392 |
| Language | 英语 |
| compositor | 第二作者单位 |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.licp.cn/handle/362003/18213 |
| Collection | 固体润滑国家重点实验室（LSL） |
| Corresponding Author | Wang Q(王青) |
| Affiliation | 1.Lanzhou Univ Technol, Sch Sci, Lanzhou 730050, Peoples R China 2.Chinese Acad Sci, Lanzhou Inst Chem Phys, State Key Lab Solid Lubricat, Lanzhou 730000, Peoples R China 3.Yibin Univ, Sichuan Prov Key Lab Computat Phys, Yibin 644000, Peoples R China |
| Recommended Citation GB/T 7714 | Wang Q,Liang JF,Zhang RH,et al. First-principle study on optical properties of N-La-codoped anatase TiO[J]. Chinese Physics B,2013,22(5):057801(1-4). |
| APA | Wang Q,Liang JF,Zhang RH,Li Q,Dai JF,&王青.(2013).First-principle study on optical properties of N-La-codoped anatase TiO.Chinese Physics B,22(5),057801(1-4). |
| MLA | Wang Q,et al."First-principle study on optical properties of N-La-codoped anatase TiO".Chinese Physics B 22.5(2013):057801(1-4). |
| Files in This Item: | ||||||
| File Name/Size | DocType | Version | Access | License | ||
| First_principles_省略_（544KB） | 期刊论文 | 作者接受稿 | 开放获取 | CC BY-NC-SA | View Application Full Text | |
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