Recent progress in gelatin hydrogel nanocomposites for water purification and beyond

S Thakur, PP Govender, MA Mamo, S Tamulevicius… - Vacuum, 2017 - Elsevier
Innovative characteristics of hydrogels such as swellability, modifiability and hydrophilicity
make them materials of choice for water treatment and other applications. Hydrogels have …

Sodium‐ion battery electrolytes: modeling and simulations

G Åvall, J Mindemark, D Brandell… - Advanced Energy …, 2018 - Wiley Online Library
The authors review the efforts made from a modeling and simulation perspective in order to
assist both the fundamental understanding as well as the development of higher …

Lithium selectivity of crown ethers: The effect of heteroatoms and cavity size

I Oral, S Tamm, C Herrmann, V Abetz - Separation and Purification …, 2022 - Elsevier
Lithium is a metal in increasingly high demand due to its use in lithium-ion batteries.
However, the extraction from aqueous resources as brines and seawater, which account for …

Density functional theoretical analysis of structure, bonding, interaction and thermodynamic selectivity of hexavalent uranium (UO 2 2+) and tetravalent plutonium (Pu …

S Pahan, A Boda, SM Ali - Theoretical Chemistry Accounts, 2015 - Springer
In the well-known PUREX process, tertiary butyl phosphate shows preferential extraction of
UO 2 2+ over Pu 4+, whereas tetraoctyl diglycolamide (TODGA) displays the reverse …

Improved alkali metal ion capturing utilizing crown ether-based diblock copolymers in a sandwich-type complexation

I Oral, V Abetz - Soft Matter, 2022 - pubs.rsc.org
The compexation behavior of metals with free crown ethers (CE) and diblock copolymer-
based CE is investigated. The latter shows at least 10 000 times stronger complexation than …

Monolayer solid-state electrolyte for electric double layer gating of graphene field-effect transistors

K Xu, H Lu, EW Kinder, A Seabaugh… - ACS …, 2017 - ACS Publications
The electrostatic gating of graphene field-effect transistors is demonstrated using a
monolayer electrolyte. The electrolyte, cobalt crown ether phthalocyanine (CoCrPc) and …

Size-controllable crown ether-embedded 2D nanosheets for the host-guest ion segregation and recovery: Insights from DFT simulations

I Abdulazeez - Journal of Physics and Chemistry of Solids, 2022 - Elsevier
The recovery of lithium ion from spent lithium sources and from seawater is a strategic way
of complementing the existing natural sources to meet the rapid growth in demand. Crown …

Ab initio and density functional theoretical design and screening of model crown ether based ligand (host) for extraction of lithium metal ion (guest): effect of donor …

A Boda, SM Ali, H Rao, SK Ghosh - Journal of molecular modeling, 2012 - Springer
The structures, energetic and thermodynamic parameters of model crown ethers with
different donor, cavity and electron donating/withdrawing functional group have been …

Emergence of symmetry and chirality in crown ether complexes with alkali metal cations

B Martínez-Haya, P Hurtado, AR Hortal… - The Journal of …, 2010 - ACS Publications
Crown ethers provide a valuable benchmark for the comprehension of molecular recognition
mediated by inclusion complexes. One of the most relevant crown ethers, 18-crown-6 …

Insights into the effects of 2: 1 “Sandwich-Type” crown-ether/metal-ion complexes in responsive host–guest systems

HR Yu, JQ Hu, XH Lu, XJ Ju, Z Liu, R **e… - The Journal of …, 2015 - ACS Publications
In-depth investigations of the specific ion-responsive characteristics based on 2: 1
“sandwich” structures and effects of crown ether cavity sizes on the metal-ion/crown-ether …