2021
DOI: 10.1016/j.polymer.2020.123372
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Preparation of a high strength, rapid self-healing composite gel and its application in electrochemical capacitor

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Cited by 15 publications
(12 citation statements)
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“…As for the Ca­[SF] 3 2+ complex, the Ca 2+ ion is coordinated by six oxygen atoms of three SF units with the same bidentate geometry. Meanwhile, the coordination energy of the Ca­[SF] 3 2+ complex reaches up to 325.51 kcal/mol, higher than binding energy of other noncovalent bonding composites . When four SF units are applied, the Ca 2+ ion can only be coordinated with three SF units with coordination number 6 due to the strong steric hindrance effect of the SF molecular unit.…”
Section: Resultsmentioning
confidence: 99%
See 1 more Smart Citation
“…As for the Ca­[SF] 3 2+ complex, the Ca 2+ ion is coordinated by six oxygen atoms of three SF units with the same bidentate geometry. Meanwhile, the coordination energy of the Ca­[SF] 3 2+ complex reaches up to 325.51 kcal/mol, higher than binding energy of other noncovalent bonding composites . When four SF units are applied, the Ca 2+ ion can only be coordinated with three SF units with coordination number 6 due to the strong steric hindrance effect of the SF molecular unit.…”
Section: Resultsmentioning
confidence: 99%
“…Meanwhile, the coordination energy of the Ca[SF] 3 2+ complex reaches up to 325.51 kcal/mol, higher than binding energy of other noncovalent bonding composites. 43 When four SF units are applied, the Ca 2+ ion can only be coordinated with three SF units with coordination number 6 due to the strong steric hindrance effect of the SF molecular unit. The results show that SF molecular chains can bond with Ca 2+ to form a relatively stable Ca[SF] 3 2+ complex via six-number coordination interaction.…”
Section: T H I S C O N T E N T I Smentioning
confidence: 99%
“…Density functional theory (DFT) was applied to perform specific computational studies on the hydrogen bonding between CT-HEP and TA. , Geometric optimization of molecular structures and single-point energy calculations during the simulation were performed based on the B3LYP/6-31G* theory utilizing the Gaussian 09 package. Notably, the experiments employ only one repeating unit of CT to acquire reasonable data about hydrogen bonding ((TA)–O and H–O (CT), (TA)–H and O–(CT)) so as to facilitate the simulation procedure.…”
Section: Resultsmentioning
confidence: 99%
“…29 Density functional theory (DFT) was applied to perform specific computational studies on the hydrogen bonding between CT-HEP and TA. 30,31 Geometric optimization of molecular structures and single-point energy calculations…”
Section: ■ Results and Discussionmentioning
confidence: 99%
“…Compared with the P–O–R groups, the P–O–H and PO groups show more obvious changes in binding energy and relative content (Figure f) in the presence of APM. In particular, the binding energy of P–O–H exhibited a negative shift from 135.3 to 134.3 eV, indicating the transfer of a small amount of electron density owing to the formation of a hydrogen bond (P–O–H···N/O) . Similarly, the shift in the binding energy of the PO group from 134.4 to 133.5 eV was ascribed to the formation of a PO···H bond between the analyte and a POE group .…”
mentioning
confidence: 99%