Lattice constants and electron gap energies of nano- and subnano-sized cerium oxides from the experiments and first-principles calculations
文献类型：期刊论文
| 作者 | Tsunekawa, S ; Wang, JT ; Kawazoe, Y |
| 刊名 | JOURNAL OF ALLOYS AND COMPOUNDS
 |
| 出版日期 | 2006 |
| 卷号 | 408页码:1145 |
| 关键词 | MONODISPERSE CEO2-X NANOPARTICLES ULTRAVIOLET-ABSORPTION SPECTRA NANOCRYSTALLINE PARTICLES METALS |
| ISSN号 | 0925-8388 |
| 通讯作者 | Tsunekawa, S: Tohoku Univ, Inst Mat Res, Sendai, Miyagi 9808577, Japan. |
| 中文摘要 | Experiments reveal that the lattice constants of nanocrystallites with the number of CeO2-x formula units N more than 68 expand relative to the bulk CeO2 but are very different depending on the fabrication method. Densities of states are calculated for bulk CeO2 and CeO1.5, and for (CeO2)(13) and (CeO1.5)(13) clusters. Band gap energies of the bulk CeO2 and CeO1.5 are estimated to be 3.20 and 0.30 eV, respectively. HOMO-LUMO gap energies of the clusters (CeO2)(13) and (CeO1.5)(13) are calculated to be almost 0 and 3.05 eV, respectively. Experimental results of the ultraviolet absorption of nanocrystallites with the number of CeO2 and CeO1.5 formula units more than 68 show the blueshifts from the bulk CeO2 and CeO1.5, respectively, due to the quantum confinement effect. (c) 2005 Elsevier B.V. All rights reserved. |
| 收录类别 | SCI |
| 语种 | 英语 |
| 公开日期 | 2013-09-18 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/40726]  |
| 专题 | 物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文 |
| 推荐引用方式 GB/T 7714 | Tsunekawa, S,Wang, JT,Kawazoe, Y. Lattice constants and electron gap energies of nano- and subnano-sized cerium oxides from the experiments and first-principles calculations[J]. JOURNAL OF ALLOYS AND COMPOUNDS,2006,408:1145. |
| APA | Tsunekawa, S,Wang, JT,&Kawazoe, Y.(2006).Lattice constants and electron gap energies of nano- and subnano-sized cerium oxides from the experiments and first-principles calculations.JOURNAL OF ALLOYS AND COMPOUNDS,408,1145. |
| MLA | Tsunekawa, S,et al."Lattice constants and electron gap energies of nano- and subnano-sized cerium oxides from the experiments and first-principles calculations".JOURNAL OF ALLOYS AND COMPOUNDS 408(2006):1145. |
入库方式： OAI收割
来源：物理研究所
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