Ultrafast Intercalation Enabled by Strong Solvent–Host Interactions: Understanding Solvent Effect at the Atomic Level
Abstract
Abstract Solvents play an essential role in many areas of chemistry and is the cornerstone of understanding reactivity in solution‐phase reactions. Solvent effects have been widely observed in intercalation reactions; however, understanding of the influence of solvents on the thermodynamics and kinetics remains largely elusive in intercalation chemistry. Now, the solvent‐dependent kinetics of ferrocene intercalation into a layered vanadyl phosphate (VOPO 4 ⋅2 H 2 O) host is presented, with a special focus on primary alcohols. From methanol to 1‐hexnaol, the intercalation rate peaks in 1‐propanol (80 times faster than the slowest case in methanol). Similar kinetics of exfoliation are also found in these solvents without ferrocene. The correlation between intercalation and exfoliation is understood at atomic level by DFT calculations, which reveal the role of pre‐intercalated solvent molecules play in intralayer interactions, interlayer expansion, and layer sliding.
- Authors:
-
[1]
- Univ. of Texas, Austin, TX (United States)
- Univ. of Texas, Austin, TX (United States); International Iberian Nanotechnology Lab., Braga (Portugal)
- International Iberian Nanotechnology Lab., Braga (Portugal); Univ. of Lisbon (Portugal)
- Publication Date:
- Research Org.:
- Univ. of Texas, Austin, TX (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1774913
- Alternate Identifier(s):
- OSTI ID: 1570508
- Grant/Contract Number:
- SC0019019
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Angewandte Chemie (International Edition)
- Additional Journal Information:
- Journal Name: Angewandte Chemie (International Edition); Journal Volume: 58; Journal Issue: 48; Journal ID: ISSN 1433-7851
- Publisher:
- Wiley
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; exfoliation; solvent effects; solvent pre-intercalation; solvent–host interactions; ultrafast intercalation
Citation Formats
Zhu, Yue, Ji, Yujin, Ju, Zhengyu, Yu, Kang, Ferreira, Paulo J., Liu, Yuanyue, and Yu, Guihua. Ultrafast Intercalation Enabled by Strong Solvent–Host Interactions: Understanding Solvent Effect at the Atomic Level. United States: N. p., 2019.
Web. doi:10.1002/anie.201908982.
Zhu, Yue, Ji, Yujin, Ju, Zhengyu, Yu, Kang, Ferreira, Paulo J., Liu, Yuanyue, & Yu, Guihua. Ultrafast Intercalation Enabled by Strong Solvent–Host Interactions: Understanding Solvent Effect at the Atomic Level. United States. https://doi.org/10.1002/anie.201908982
Zhu, Yue, Ji, Yujin, Ju, Zhengyu, Yu, Kang, Ferreira, Paulo J., Liu, Yuanyue, and Yu, Guihua. Tue .
"Ultrafast Intercalation Enabled by Strong Solvent–Host Interactions: Understanding Solvent Effect at the Atomic Level". United States. https://doi.org/10.1002/anie.201908982. https://www.osti.gov/servlets/purl/1774913.
@article{osti_1774913,
title = {Ultrafast Intercalation Enabled by Strong Solvent–Host Interactions: Understanding Solvent Effect at the Atomic Level},
author = {Zhu, Yue and Ji, Yujin and Ju, Zhengyu and Yu, Kang and Ferreira, Paulo J. and Liu, Yuanyue and Yu, Guihua},
abstractNote = {Abstract Solvents play an essential role in many areas of chemistry and is the cornerstone of understanding reactivity in solution‐phase reactions. Solvent effects have been widely observed in intercalation reactions; however, understanding of the influence of solvents on the thermodynamics and kinetics remains largely elusive in intercalation chemistry. Now, the solvent‐dependent kinetics of ferrocene intercalation into a layered vanadyl phosphate (VOPO 4 ⋅2 H 2 O) host is presented, with a special focus on primary alcohols. From methanol to 1‐hexnaol, the intercalation rate peaks in 1‐propanol (80 times faster than the slowest case in methanol). Similar kinetics of exfoliation are also found in these solvents without ferrocene. The correlation between intercalation and exfoliation is understood at atomic level by DFT calculations, which reveal the role of pre‐intercalated solvent molecules play in intralayer interactions, interlayer expansion, and layer sliding.},
doi = {10.1002/anie.201908982},
journal = {Angewandte Chemie (International Edition)},
number = 48,
volume = 58,
place = {United States},
year = {Tue Sep 24 00:00:00 EDT 2019},
month = {Tue Sep 24 00:00:00 EDT 2019}
}
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