Sizable dynamics in small pores: CO2 location and motion in the alpha-Mg formate metal-organic framework
文献类型：期刊论文
| 作者 | Lu, Yuanjun1; Lucier, Bryan E. G.1; Zhang, Yue1; Ren, Pengju2,3; Zheng, Anmin4; Huang, Yining1 |
| 刊名 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS
 |
| 出版日期 | 2017 |
| 卷号 | 19期号:8页码:6130-6141 |
| 英文摘要 | Metal-organic frameworks (MOFs) are promising materials for carbon dioxide (CO2) adsorption and storage; however, many details regarding CO2 dynamics and specific adsorption site locations within MOFs remain unknown, restricting the practical uses of MOFs for CO2 capture. The intriguing a-magnesium formate (alpha-Mg-3(HCOO)(6)) MOF can adsorb CO2 and features a small pore size. Using an intertwined approach of C-13 solid-state NMR (SSNMR) spectroscopy, H-1-C-13 cross-polarization SSNMR, and computational molecular dynamics (MD) simulations, new physical insights and a rich variety of information have been uncovered regarding CO2 adsorption in this MOF, including the surprising suggestion that CO2 motion is restricted at elevated temperatures. Guest CO2 molecules undergo a combined localized rotational wobbling and non-localized twofold jumping between adsorption sites. MD simulations and SSNMR experiments accurately locate the CO2 adsorption sites; the mechanism behind CO2 adsorption is the distant interaction between the hydrogen atom of the MOF formate linker and a guest CO2 oxygen atom, which are ca. 3.2 angstrom apart. |
| WOS标题词 | Science & Technology ; Physical Sciences |
| 类目[WOS] | Chemistry, Physical ; Physics, Atomic, Molecular & Chemical |
| 研究领域[WOS] | Chemistry ; Physics |
| 关键词[WOS] | SOLID-STATE NMR ; NEUTRON-SCATTERING MEASUREMENTS ; CARBON-DIOXIDE CAPTURE ; ZIRCONIUM TEREPHTHALATE UIO-66(ZR) ; CLIMATE-CHANGE ; MOLECULAR SIMULATIONS ; TRANSPORT DIFFUSIVITY ; MAGNETIC-RESONANCE ; ACETYLENE STORAGE ; CO2/CH4 MIXTURES |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000395869500048 |
| 源URL | [http://ir.wipm.ac.cn/handle/112942/10024]  |
| 专题 | 武汉物理与数学研究所_磁共振应用研究部 |
| 作者单位 | 1.Univ Western Ontario, Dept Chem, 1151 Richmond St, London, ON N6A 5B7, Canada 2.Chinese Acad Sci, Inst Coal Chem, State Key Lab Coal Convers, Taiyuan 030001, Peoples R China 3.Synfuels China Co Ltd, Natl Energy Ctr Coal Clean Fuels, Beijing 101400, Peoples R China 4.Chinese Acad Sci, Wuhan Inst Phys & Math, Wuhan Ctr Magnet Resonance, State Key Lab Magnet Resonance & Atom & Mol Phys, Wuhan 430071, Peoples R China |
| 推荐引用方式 GB/T 7714 | Lu, Yuanjun,Lucier, Bryan E. G.,Zhang, Yue,et al. Sizable dynamics in small pores: CO2 location and motion in the alpha-Mg formate metal-organic framework[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2017,19(8):6130-6141. |
| APA | Lu, Yuanjun,Lucier, Bryan E. G.,Zhang, Yue,Ren, Pengju,Zheng, Anmin,&Huang, Yining.(2017).Sizable dynamics in small pores: CO2 location and motion in the alpha-Mg formate metal-organic framework.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,19(8),6130-6141. |
| MLA | Lu, Yuanjun,et al."Sizable dynamics in small pores: CO2 location and motion in the alpha-Mg formate metal-organic framework".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 19.8(2017):6130-6141. |
入库方式： OAI收割
来源：武汉物理与数学研究所
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