Topology of electrostatic potential and electron density reveals a covalent to non-covalent carbon–carbon bond continuum

Anjalikrishna, Puthannur K.; Gadre, Shridhar R.; Suresh, Cherumuttathu H.

doi:10.1039/d3cp03268j

Phys. Chem. Chem. Phys.

2023

DOI: 10.1039/d3cp03268j

|View full text |Cite

Topology of electrostatic potential and electron density reveals a covalent to non-covalent carbon–carbon bond continuum

Puthannur K. Anjalikrishna,

Shridhar R. Gadre,

Cherumuttathu H. Suresh

Abstract: MESP topology analysis suggests a CC bond continuum in chemistry which encompasses all kinds of covalent, non-covalent and borderline cases such as transition states.

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...

Citation Types

Supporting

Mentioning

Contrasting

Year Published

2024

Publication Types

Select...

Article2

Relationship

Self Cite0

Independent2

Authors

Journals

Cited by 2 publications

References 98 publications

(136 reference statements)

Supporting

Mentioning

Contrasting

Order By: Relevance

Poly(ester‐alt‐acetal) Electrolyte via In Situ Copolymerization for High‐Voltage Lithium Metal Batteries: Lithium Salt Catalysts Deciding Stable Solid‐Electrolyte Interphase

Guo,

Liu,

Shen

et al. 2024

Adv Funct Materials

View full text Add to dashboard Cite

The in situ‐formed polymer electrolytes provide a vital solution for improving both safety and performance in the high‐voltage lithium metal batteries. This study reports new poly(ester‐alt‐acetal) (PEA) electrolytes, synthesized through in situ alternating copolymerization of glutaric anhydride and 1,3‐dioxane. In the presence of 25 wt.% lithium bis(trifluoromethanesulfonyl)imide (LiTFSI), three lithium salts, lithium difluoro(oxalate)borate (LiDFOB), lithium hexafluorophosphate (LiPF6), and lithium tetrafluoroborate (LiBF4) are employed as the catalysts for the copolymerization. These lithium salts can modulate the compositions of the solid‐electrolyte interphase (SEI) layer. PEA‐LiPF6 exhibits outstanding SEI chemistry, with observing the highest LiF content, thereby achieving a remarkable critical current density of up to 2.5 mA cm−2, a Li+ transference number of 0.81, and an expansive electrochemical stability window of 6.0 V. Furthermore, PEA‐LiPF6 demonstrates noteworthy capacity retention rates of 96.6% (0.5 C, 200th/first cycle in LiFePO4||Li), 95.6% (0.5 C, 100th/first cycle in LiMn0.6Fe0.4PO4||Li), 95.1% (1 C, 100th/first cycle in LiCoO2||Li), and 87.0% (1 C, 100th/first cycle in LiNi0.6Co0.2Mn0.2O2||Li full‐cells). This work demonstrates a facile in situ route to fabricate polymer electrolytes for high‐voltage lithium‐metal batteries with balanced and comprehensive performance.

show abstract

Poly(ester‐alt‐acetal) Electrolyte via In Situ Copolymerization for High‐Voltage Lithium Metal Batteries: Lithium Salt Catalysts Deciding Stable Solid‐Electrolyte Interphase

Guo,

Liu,

Shen

et al. 2024

Adv Funct Materials

View full text Add to dashboard Cite

show abstract

Tailoring adsorbents for levodopa detection: a DFT study on Pt-encapsulated fullerene systems

Maxakato,

Ogbogu,

Adeleye

et al. 2024

RSC Adv.

View full text Add to dashboard Cite

show abstract

scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.

Contact Info

customersupport@researchsolutions.com

10624 S. Eastern Ave., Ste. A-614

Henderson, NV 89052, USA

This site is protected by reCAPTCHA and the Google Privacy Policy and Terms of Service apply.

Blog Terms and Conditions API Terms Privacy Policy Contact Cookie Preferences Do Not Sell or Share My Personal Information

Made with 💙 for researchers

Part of the Research Solutions Family.

Topology of electrostatic potential and electron density reveals a covalent to non-covalent carbon–carbon bond continuum

Abstract: MESP topology analysis suggests a CC bond continuum in chemistry which encompasses all kinds of covalent, non-covalent and borderline cases such as transition states.

Cited by 2 publications

References 98 publications

Poly(ester‐alt‐acetal) Electrolyte via In Situ Copolymerization for High‐Voltage Lithium Metal Batteries: Lithium Salt Catalysts Deciding Stable Solid‐Electrolyte Interphase

Poly(ester‐alt‐acetal) Electrolyte via In Situ Copolymerization for High‐Voltage Lithium Metal Batteries: Lithium Salt Catalysts Deciding Stable Solid‐Electrolyte Interphase

Tailoring adsorbents for levodopa detection: a DFT study on Pt-encapsulated fullerene systems

Contact Info

Product

Resources

About