Science China Technological Sciences, Journal Year: 2025, Volume and Issue: 68(5)
Published: April 17, 2025
Language: Английский
Science China Technological Sciences, Journal Year: 2025, Volume and Issue: 68(5)
Published: April 17, 2025
Language: Английский
ACS Nano, Journal Year: 2025, Volume and Issue: unknown
Published: Jan. 7, 2025
The utilization of electrolyte additives has been regarded as an efficient strategy to construct dendrite-free aqueous zinc-ion batteries (AZIBs). However, the blurry screening criteria and time-consuming experimental tests inevitably restrict application prospect additive strategy. With rise artificial intelligence technology, machine learning (ML) provides avenue promote upgrading energy storage devices. Herein, we proposed intriguing ML-assisted method accelerate development efficiency on AZIBs. Concretely, selected Gutmann donor number (DN value) a screen parameter, which can reflect interaction between solvent molecules ions, integrated ML model that predict DN values organic via molecular fingerprints, thereby achieving additives. Then, combined with theoretical calculations, influence law three different thermodynamic stability Zn anode its corresponding optimization mechanisms were revealed; are in positive correlation electrochemical performance anode. Especially, isopropyl alcohol (IPA) high value (36) various Zn-based cells presented superior performance, including calendar life (1500 h), stable Coulombic (99% within 450 cycles), favorable cycling retention. This work pioneers techniques for predicting additives, offering compelling investigation
Language: Английский
Citations
5Progress in Materials Science, Journal Year: 2025, Volume and Issue: unknown, P. 101453 - 101453
Published: Feb. 1, 2025
Language: Английский
Citations
2Solar RRL, Journal Year: 2025, Volume and Issue: unknown
Published: Jan. 16, 2025
Molecular engineering serves as a prevalent strategy in solar cells architecture toward robust, reliable, and highly efficient light‐electricity conversion devices. Specifically, two well‐known strategies, i.e., halogen substitution π‐spacer modification, are extensively introduced. However, the underlying photovoltaics mechanism on benzodithiophene terthiophene rhodamine (BTR) remains lacking. Herein, combined approach of density functional theory (DFT) time‐dependent DFT calculations is systematically introduced to unravel implication terms structure–property relationships. The results suggest that BTR molecular backbone can effectively reduce frontier orbital energy levels molecule. Moreover, extending increase conjugation length backbone, which improving photoelectric properties small molecules. B 3 , addition pair thiophene rings BTR, with lowest gap reorganization energy, relatively exciton binding strongest light absorption spectra, promising candidate for donor In addition, by combining these modification strategies (i.e., chlorinated ), overall performance new ‐Cl molecule be further improved compared . findings provide theoretical guidance rational design novel A–π–D–π–A‐type
Language: Английский
Citations
0Journal of Membrane Science, Journal Year: 2025, Volume and Issue: unknown, P. 123876 - 123876
Published: Feb. 1, 2025
Language: Английский
Citations
0Journal of Energy Chemistry, Journal Year: 2025, Volume and Issue: unknown
Published: March 1, 2025
Language: Английский
Citations
0Chemical Science, Journal Year: 2025, Volume and Issue: unknown
Published: Jan. 1, 2025
Alkaline byproducts at the zinc anode interface continue to exacerbate subsequent side reactions, so realizing timely salvage of electrodes is equally important compared upfront prevention strategies.
Language: Английский
Citations
0Chinese Chemical Letters, Journal Year: 2025, Volume and Issue: unknown, P. 111174 - 111174
Published: April 1, 2025
Language: Английский
Citations
0Chemical Engineering Journal, Journal Year: 2025, Volume and Issue: unknown, P. 162301 - 162301
Published: April 1, 2025
Language: Английский
Citations
0Science China Technological Sciences, Journal Year: 2025, Volume and Issue: 68(5)
Published: April 17, 2025
Language: Английский
Citations
0