From Biomass to Functional Crystalline Diamond Nanothread: Pressure-Induced Polymerization of 2,5-Furandicarboxylic Acid

• DOI: 10.1021/jacs.2c08914
• Publication Date: 2022-11-18T21:05:15Z
• Authors: Xuan Wang; Xin Yang; Yida Wang; Xingyu Tang; Haiyan Zheng; Peijie Zhang; Dexiang Gao; Guangwei Che; Zijia Wang; Aijiao Guan; Jun-Feng Xiang; Mingxue Tang; Xiao Dong; Kuo Li; Ho-kwang Mao
• Keywords: Carbon fibers; Rietveld Refinement

2,5-Furandicarboxylic acid (FDCA) is one of the top-12 value-added chemicals from sugar. Besides wide application in chemical industry, here we found that solid FDCA polymerized to form an atomic-scale ordered sp3-carbon nanothread (CNTh) upon compression. With help perfectly aligned π-π stacked molecules and strong intermolecular hydrogen bonds, crystalline poly-FDCA CNTh with uniform syn-configuration was obtained above 11 GPa, crystal structure determined by Rietveld refinement X-ray diffraction (XRD). The situ XRD theoretical simulation results show experienced continuous [4 + 2] Diels-Alder reactions along stacking direction at threshold C···C distance ∼2.8 Å. Benefiting abundant carbonyl groups, shows a high specific capacity 375 mAh g-1 as anode material lithium battery excellent Coulombic efficiency rate performance. This first time three-dimensional obtained, demonstrated it bonds lead formation unique configuration. It also provides new method move biomass compounds toward advanced functional carbon materials.