Porphyrins as a Platform for Lithium-Selective Two-Dimensional Membranes
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F25%3A00638973" target="_blank" >RIV/61388963:_____/25:00638973 - isvavai.cz</a>
Alternative codes found
RIV/00216224:14740/25:00143109
Result on the web
<a href="https://doi.org/10.1021/acs.jpclett.5c01874" target="_blank" >https://doi.org/10.1021/acs.jpclett.5c01874</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/acs.jpclett.5c01874" target="_blank" >10.1021/acs.jpclett.5c01874</a>
Alternative languages
Result language
angličtina
Original language name
Porphyrins as a Platform for Lithium-Selective Two-Dimensional Membranes
Original language description
Two-dimensional ion-selective membranes provide an appealing avenue for extracting lithium from naturally occurring aqueous brine solutions. Most current work is focused on graphene-based membranes, where the dynamics of ion permeation is determined by noncovalent pore-ion interactions, and the main challenge is achieving precise control over the pore size. Here, we propose that porphyrins, macrocycles with atomically precise pores similar to 2.6 & Aring, in diameter, are attractive alternative building blocks for lithium-selective membranes. We use ab initio molecular dynamics with enhanced sampling to investigate the permeability of porphene, an archetypal porphyrin-based material, toward ions present in lithium brine. Our simulations show that porphene is highly permeable to lithium and impermeable to sodium and potassium, while the permeability of magnesium can be controlled by pH. These results demonstrate that membranes based on porphene, or more generally on 2D materials containing porphyrins, may be useful for sustainably extracting lithium from brine.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10403 - Physical chemistry
Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2025
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Journal of Physical Chemistry Letters
ISSN
1948-7185
e-ISSN
—
Volume of the periodical
16
Issue of the periodical within the volume
36
Country of publishing house
US - UNITED STATES
Number of pages
6
Pages from-to
9408-9413
UT code for WoS article
001562298800001
EID of the result in the Scopus database
2-s2.0-105015641783