| Title | Atomic structure of the continuous random network of amorphous C[(C6H4)(2)](2) PAF-1 |
| Authors | Cai, Guanqun Lin, He Zhao, Ziqiang Liu, Jiaxun Phillips, Anthony E. Headen, Thomas F. Youngs, Tristan G. A. Hai, Yang Tian, Haolai He, Chunyong Ke, Yubin Tao, Juzhou Ben, Teng Dove, Martin T. |
| Affiliation | Sichuan Univ, Coll Comp Sci, Chengdu 610065, Sichuan, Peoples R China Queen Mary Univ London, Sch Phys & Chem Sci, Mile End Rd, London E1 4NS, England Chinese Acad Sci, Shanghai Adv Res Inst, Shanghai Synchrotron Radiat Facil, Shanghai 201204, Peoples R China Tianjin Univ, Inst Mol Plus, Tianjin 300072, Peoples R China Rutherford Appleton Lab, ISIS Neutron & Muon Facil, Harwell Campus, Didcot OX11 0QX, Oxon, England Dongguan Univ Technol, Sch Mech Engn, Dongguan 523830, Guangdong, Peoples R China Spallat Neutron Source Sci Ctr, Dongguan 523803, Guangdong, Peoples R China Chinese Acad Sci, Inst High Energy Phys, Beijing 100049, Peoples R China Univ Chinese Acad Sci, Beijing 100049, Peoples R China Zhejiang Normal Univ, Zhejiang Engn Lab Green Syntheses & Applicat Fluo, Inst Adv Fluorine Containing Mat, Jinhua 321004, Zhejiang, Peoples R China Zhejiang Normal Univ, Inst Phys Chem, Minist Educ Adv Catalysis Mat, Key Lab, Jinhua 321004, Zhejiang, Peoples R China Wuhan Univ Technol, Sch Sci, Dept Phys, Wuhan 430070, Hubei, Peoples R China Peking Univ, Coll Chem & Mol Engn, Beijing 100871, Peoples R China |
| Keywords | SHARP DIFFRACTION PEAK COVALENT ORGANIC FRAMEWORKS POROUS AROMATIC FRAMEWORKS NEUTRON-SCATTERING THERMAL-EXPANSION RATIONAL DESIGN FORCE-FIELD DYNAMICS GLASSES SILICA |
| Issue Date | 15-Jun-2022 |
| Publisher | CELL REPORTS PHYSICAL SCIENCE |
| Abstract | In the search for stable materials with high porosity, attention has moved toward atomic networks that utilize molecular linkages. PAF-1, with linkages of biphenyl moieties, forms an amorphous network with phenomenal porosity and stability. Until now there still has been no clear picture of its atomic structure. We report here on a study using both neutron scattering and molecular dynamics simulation methods. We demonstrate that PAF-1 forms a continuous random network, in which tetrahedral carbon sites are connected by the biphenyl linkers. The molecular dynamics simulations show local structure with avoidance of close contacts between hydrogen atoms. We observe a distinct peak in the scattering at Q = 0.45 angstrom(-1), corresponding to the first sharp diffraction peak in amorphous silica. This suggests there is structural analogy between the amorphous tetrahedral networks of PAF-1 and silica. |
| URI | http://hdl.handle.net/20.500.11897/672723 |
| DOI | 10.1016/j.xcrp.2022.100899 |
| Indexed | SCI(E) |
| Appears in Collections: | å å¦ä¸ å å å·¥ç¨ å¦é ¢ |
