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Boron Environments in B-Doped and (B, N)-Codoped TiO2 Photocatalysts: A Combined Solid-State NMR and Theoretical Calculation Study
文献类型：期刊论文
| 作者 | Feng, Ningdong1; Zheng, Anmin1; Wang, Qiang1; Ren, Pingping1; Gao, Xiuzhi1; Liu, Shang-Bin2; Shen, Zhurui3,4; Chen, Tiehong3,4; Deng, Feng1 |
| 刊名 | JOURNAL OF PHYSICAL CHEMISTRY C
 |
| 出版日期 | 2011-02-17 |
| 卷号 | 115期号:6页码:2709-2719 |
| 英文摘要 | The structures and local environments of boron species in B-doped and (B, N)-codoped TiO2 photocatalysts have been investigated by solid-state B-11 NMR spectroscopy in conjunction with density functional theory (DFT) calculations. Up to seven different boron sites were identified in the B-doped anatase TiO2, which may be classified into three categories, including interstitial, bulk BO3/2 polymer, and surface boron species, and has been supported by results obtained from FT-IR and XPS spectroscopy as well as from DFT calculations. Two types of interstitial borons, namely the tricoordinated (T*)- and pseudotetrahedral-coordinated (Q*) borons, were observed in addition to the two types of bulk BO3/2 polymer and three types of surface B, in good agreement with experimental data. Further density of state. analyses revealed that, compared to undoped TiO2, the T* species in boron-doped TiO2 are solely responsible for the observed increase in energy band gap, whereas the presence of Q* species tend to lead to a decrease in band gap and hence are more favorable for the absorption in the visible light region. In comparison with B- and N-doped TiO2, (B, N)-codoped TiO2 tends to exhibit a much higher visible-light photo catalytic activity for the oxidation of rhodamine B. Accordingly, a photochemical mechanism of the (B, N)-codoped TiO2 under visible-light irradiation is proposed. |
| WOS标题词 | Science & Technology ; Physical Sciences ; Technology |
| 类目[WOS] | Chemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary |
| 研究领域[WOS] | Chemistry ; Science & Technology - Other Topics ; Materials Science |
| 关键词[WOS] | ANGLE-SPINNING NMR ; PERIODIC STRUCTURE MODELS ; VISIBLE-LIGHT ; TITANIUM-DIOXIDE ; QUADRUPOLAR NUCLEI ; ANATASE TIO2 ; DFT CALCULATIONS ; CHEMICAL-SHIFTS ; MQMAS NMR ; SPECTROSCOPY |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000287065700015 |
| 公开日期 | 2015-12-01 |
| 源URL | [http://ir.wipm.ac.cn/handle/112942/8213]  |
| 专题 | 武汉物理与数学研究所_2011年以前论文发表（包括2011年） |
| 作者单位 | 1.Chinese Acad Sci, Wuhan Inst Phys & Math, Wuhan Ctr Magnet Resonance, State Key Lab Magnet Resonance & Atom & Mol Phys, Wuhan 430071, Peoples R China 2.Acad Sinica, Inst Atom & Mol Sci, Taipei 10617, Taiwan 3.Nankai Univ, Coll Chem, Dept Chem Mat, Key Lab Funct Polymer Mat MOE, Tianjin 300071, Peoples R China 4.Nankai Univ, Coll Phys, Tianjin 300071, Peoples R China |
| 推荐引用方式 GB/T 7714 | Feng, Ningdong,Zheng, Anmin,Wang, Qiang,et al. Boron Environments in B-Doped and (B, N)-Codoped TiO2 Photocatalysts: A Combined Solid-State NMR and Theoretical Calculation Study[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2011,115(6):2709-2719. |
| APA | Feng, Ningdong.,Zheng, Anmin.,Wang, Qiang.,Ren, Pingping.,Gao, Xiuzhi.,...&Deng, Feng.(2011).Boron Environments in B-Doped and (B, N)-Codoped TiO2 Photocatalysts: A Combined Solid-State NMR and Theoretical Calculation Study.JOURNAL OF PHYSICAL CHEMISTRY C,115(6),2709-2719. |
| MLA | Feng, Ningdong,et al."Boron Environments in B-Doped and (B, N)-Codoped TiO2 Photocatalysts: A Combined Solid-State NMR and Theoretical Calculation Study".JOURNAL OF PHYSICAL CHEMISTRY C 115.6(2011):2709-2719. |
入库方式： OAI收割
来源：武汉物理与数学研究所
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