1,721,138 research outputs found
Crystal engineering of ionic cocrystals
No full textPharmaceutical cocrystals are long known but relatively understudied class of compounds. In the past decade there is heightened interest in pharmaceutical cocrystals to the point now they are in the advance stage of drug product development. In general, cocrystals can be classified into two categories: molecular cocrystals (MCCs) that comprise only neutral components in the crystal lattice (coformers); ionic cocrystals (ICCs), which consist at least a salt i.e. ionic compound. ICCs are recently emerging class of crystal forms for the new fundamental science in the context of crystal engineering and have been barely studied in the context of pharmaceutical science.
Chapter 1 highlights a brief history of molecular cocrystals (MCCs) but focuses primarily upon advances in discovery, design and development of pharmaceutical cocrystals that have occurred since an earlier review published in 2004. Further two case studies that demonstrate how pharmaceutical cocrystals can improve the physicochemical properties and clinical performance of API’s are presented.
Chapter 2 mainly focusses on history, the advantages, the diversity and case studies of ionic cocrystals to improve the physicochemical properties of API’s.
Chapter 3 addresses the propensity to form chloride···carboxylic acid versus chloride···phenol hydrogen bonds (supramolecular heterosynthons) through a combination of Cambridge Structural Database (CSD) data mining and the structural characterization of 12 novel ICCs, including 4 hydrates containing carboxylic acids, phenol groups, and chloride anions.
Chapter 4 highlights a crystal engineering approach for the preparation and characterization of ionic cocrystals (ICCs) of lithium chloride (LIC) and lithium bromide (LIB) with glucose (GLU); further demonstrated the physical stability and pharmacokinetic studies of lithium chloride-glucose (LICGLU) ICC compared to that of lithium chloride.
Chapter 5 concludes by emphasizing the need to explore ionic cocrystals in terms of design and their relevance to pharmaceutical science
Crystal engineering of layered and pillared square lattice networks for adsorptive separation of hydrocarbons
No full textSeparation of hydrocarbons (HCs) is industrially relevant thanks to their widespread
utility in the petrochemical industry but remains a challenge because of the similar
physicochemical properties of the components of important gas mixtures such as those
produced during manufacture of C2 and C3 HCs. Technologies to separate such HCs currently
rely upon energy-intensive separations such as cryogenic distillation, chemisorption, or solvent
extraction. Physisorbents offer the potential to enable energy-efficient adsorptive separation
technologies for purification of HCs and there is a growing activity in this area. In this context,
metal-organic materials (MOMs), including metal-organic frameworks (MOFs) and porous
coordination polymers (PCPs), have emerged as leading candidates for addressing
energy-efficient gas/vapour/liquid separations such as C2H2/CO2, C2H2/C2H4, C3H4/C3H6, C8
aromatic isomers etc.
Crystal engineering, the field of chemistry that studies the design, properties, and
applications of crystals, has evolved from a focus upon the design of new crystalline materials
and their properties to an emphasis upon creating the right materials for the right applications.
MOMs that are amenable to crystal engineering are important in this context as they offer a
means of precise control over pore size/chemistry and they have recently emerged as
benchmark physisorbents for separating HCs. Herein, we address structure-property
relationships with respect to HC adsorption in two subclasses of MOMs, layered square lattice
(sql) coordination networks and hybrid ultramicroporous materials (HUMs, also known as
inorganic linker pillared sql networks).
Chapter 1 reviews the importance of separating small molecules of industrial relevance,
especially C1-C8 HCs. Herein, present, and emerging technologies for HCs’ separation and
purification, contextualizing their energy efficiency and regenerability are reviewed
comprehensively. Adsorptive separation based on physisorbents, an alternative technology that
is more energy efficient to separate HCs, has been discussed. Guided by crystal engineering
blueprints, the development of two generations of MOM based HC adsorbents have been
discussed, in terms of fine-tuning their pore size/chemistry. Further we discuss about layered
sql coordination networks, an underexplored class of MOMs for their emerging role in
separation and purification of HCs and its switching behaviour that exhibit high adsorption
capacity and selectivity in the pressure region where one component can open the framework
while others cannot. Hybrid ultramicroporous (pore size < 0.7 nm) materials (HUMs), can also
be called as pillared square grid networks, also a subclass of MOMs, are outstanding candidates
for physisorptive separation of HCs, as they offer benchmark selectivities for several C1-C3
separations. This chapter also reviews HUMs and other sorbents and their performance for
separation and purification of light hydrocarbons (LHs). A brief discussion on how to control
the pore environments of MOMs in ways to elicit optimal binding sites specific for target HC
molecules concludes the chapter.
Chapter 2 highlights the role of crystal engineering to rationally design mixed linker/rectangular square grid networks and elucidates our studies upon their sorption
properties. We demonstrate that a new rectangular sql coordination network
[Co(bipy)(bptz)(NCS)2]n, abbreviated as sql-1,3-Co-NCS, exhibits strong selectivity towards
all three xylene isomers over EB with high uptake capacities. In fact, a comparative analysis
of the key performance parameters viz. selectivity of xylene isomers over EB and gravimetric
uptake reveals that sql-1,3-Co-NCS outperforms physisorbents reported thus far. To the best
of our knowledge, sql-1,3-Co-NCS is the first adsorbent to exhibit a combination of high
xylene adsorption capacity (~ 37 wt%) and high xylene selectivity over EB (SOX/EB, SMX/EB,
SPX/EB > 5). Thanks to the use of mixed-linker guided fine-tuning of pore size and chemistry, this work establishes the importance of crystal engineering the modular class of rectangular sql
coordination networks to design top-performing C8 sorbents.
Chapter 3 reports an ultramicroporous sql coordination network. We report efficient
C2H2/CO2 separation using an ultramicroporous coordination network, [Cu(4,4-(2,5-dimethyl 1,4-phenylene)dipyridine)2(NO3)2]n (sql-16-Cu-NO3-), a new member of the understudied
class/family of sorbents of sql topology. sql-16-Cu-NO3- exhibits both flexible and rigid
behaviour with C2H2 at cryogenic and ambient temperatures respectively. A new type of C2H2
binding site CH∙∙∙ONO2, in sql-16-Cu-NO3- offers highly selective C2H2/CO2 separation
performance. sql-16-Cu-NO3- exhibits highly selective C2H2/CO2 separation performance
offering the combination of a) only the third best experimentally derived equimolar separation
selectivity for C2H2/CO2 among physisorbents; b) benchmark difference between the C2H2 and
CO2 adsorption enthalpies at half loading. In situ powder X-ray diffraction, molecular
modelling studies and their analysis provide insights into the sorption properties and high
C2H2/CO2 separation performances revealed by sql-16-Cu-NO3-.
Chapter 4 breaks the existing trade-off between adsorption capacity and selectivity with
porous materials, which is major roadblock to reducing the energy footprint of gas separation
technologies. In this regard, we report a family of six new hybrid ultramicroporous materials
(HUMs) based upon a ligand that enables higher surface area than existing HUMs; strong
binding sites for C2H2; weak binding for CO2. Only minor structural differences across this
isostructural family of six HUMs enabled fine-tuning of pore size and pore chemistry. We
demonstrate that four of the new HUMs, [Ni(pypz)2SiF6]n, SIFSIX-21-Ni; [Ni(pypz)2NbOF5]n,
NbOFFIVE-3-Ni; [Cu(pypz)2TiF6]n, TIFSIX-4-Cu; and [Cu(pypz)2NbOF5]n, NbOFFIVE-3-
Cu, (pypz: 4-(3,5-dimethyl-1H-pyrazol-4-yl)pyridine) break the aforementioned
selectivity/capacity trade-off with adsorption capacities ≥ 3.5 mmol∙g
-1
and high separation selectivities ≥ 5. SIFSIX-21-Ni is the new benchmark among C2H2/CO2 selective sorbents
since it combines exceptional separation selectivity (27.7) with high adsorption capacity (4
mmol∙g-1
). In situ infrared (IR) spectroscopy and molecular modelling studies provide insights
into the acetylene binding sites in this family of HUMs and critically interrogates why they
differ from those of structurally related HUMs.
Chapter 5 addresses single-step purification of ethylene (C2H4), by crystal engineering
of two HUMs, [Ni(aminopyrazine)2(SiF6)]n (SIFSIX-17-Ni) and [Ni(aminopyrazine)2(TiF6)]n
(TIFSIX-17-Ni). No single physisorbent meets the requisite selectivity required to purify pure
(> 99.9%) C2H4 from ternary C2-CO2 mixtures (C2H4/C2H2/CO2) under ambient conditions.
Indeed, both SIFSIX-17-Ni and TIFSIX-17-Ni produce polymer-grade ethylene (> 99.9%
purity) from a 1:1:1 ternary C2-CO2 mixture. We attribute the observed properties to the
unusual binding sites in SIFSIX-17-Ni and TIFSIX-17-Ni that offer comparable affinity to
both CO2 and C2H2, thereby enabling coadsorption of C2H2 and CO2. In situ synchrotron x-ray
diffraction, in situ IR spectroscopy and computational simulations provide in-depth
understanding of these binding sites and explains how the amino substitution profoundly
impacts the prototypal HUM pore environment in the isostructural pyrazine-linked
SIFSIX-3-Zn.
Chapter 6 presents a conclusion and explores future potential applications of layered sql
coordination networks and HUMs to purify commodity chemicals, including HCs. We explain
how modularity and amenability to crystal engineer sql coordination networks and HUMs,
make them potential sorbents to enable adsorptive separation and purification of industrially
and environmentally relevant pure chemicals from the industrial feedstocks during downstream
processing of mixtures. Our findings provide improved structure-property relationships, key to
explain how fine-tuning of pore size and pore chemistry will enhance HC separation
performances. Our studies lead to new design principles which can be further developed in future to generate bespoke sorbents for myriad properties and applications. Relevant lead
sorbents can be applied to “synergistic sorbent separation technology”, SSST, to enable one step purification from ternary and quaternary gas mixtures. This chapter concludes by
highlighting the yet unaccomplished objectives of sql coordination networks and HUMs, such
as the formulation of several benchmark sorbents into regular shaped/ sized pellet based fixed bed development to translate into higher technological readiness level research and to examine
the effects of particle size, defects, hierarchical MOMs derived porous solids, composites and
membranes to build upon the status quo
Switching adsorbent molecular materials (SAMMs) for C8 separation and water capture
No full textWith the increasing demand for the separation and purification of industrial commodities, the energy consumption for their production has increased at a fast pace. Previous studies on metal-organic materials, materials based upon coordination chemistry with organic ligands, have shown that their modularity makes them amenable to crystal engineering. Furthermore, rigid 3D coordination networks can store and separate gases/vapours. Switching materials, i.e. materials that can undergo a sudden stimulus driven structural transformation induced by adsorption, are less studied but can offer higher working capacities than rigid variants. This thesis explores zerodimensional metal-organic switching materials, Werner complexes, to investigate their potential as energy-efficient materials for (i) separation of aromatic C8 isomers and (ii) water harvesting. The molecular nature of Werner complexes allows them to reversibly switch between a densely packed ‘closed phase’ and a porous ‘open phase’ with little structural strain/degradation. We introduce the term Switching Adsorbent Molecular Material (SAMM) to describe a Werner complex which exhibits a switching isotherm. The sorption properties of the Werner complex Ni(NCS)2(4-phenylpyridine)4 (SAMM3-Ni-NCS), were studied, including the collection of isotherms for OX, MX, PX and EB and multiple sorption cycles to investigate its recyclability. New Werner complex variants were prepared by applying crystal engineering principles to modify (i) anionic axial ligands, (ii) neutral N-donor equatorial ligands including pyridines and imidazoles and (iii) divalent metal ions. The sorption properties of these SAMMs were investigated using Dynamic Vapour Sorption (DVS). The C8 selectivity values of SAMMs were found to outperform rigid C8 sorbents. The variants studied in relation to water harvesting exhibit switching isotherms for water vapour: the first report of such behaviour in a Werner complex. It was found that the choice of the anionic axial ligand may play a role in determining whether a complex will exhibit switching induced by water vapour. The work described herein demonstrates the application of molecular physisorbents in the separation of C8 aromatic hydrocarbons, as well as the previously unexplored application of Werner complexes as switching water sorbents
Improving Biopharmaceutical Properties of Vinpocetine Through Cocrystallization
Full text linkVinpocetine is a poorly water soluble weakly basic drug (pKa 1⁄4 7.1) used for the treatment of several cerebrovascular and cognitive disorders. Because existing formulations exhibit poor bioavailability and scarce absorption, a dosage form with improved pharmacokinetic properties is highly desirable. Cocrystallization represents a promising approach to generate diverse novel crystal forms and to improve the aqueous solubility and in turn the oral bioavailability. In this article, a novel ionic cocrystal of vinpocetine is described, using boric acid as a coformer, and fully characterized (by means of differential scanning calorimetry, solid-state nuclear magnetic resonance, powder and singlecrystal X-ray diffraction, and powder dissolution test). Pharmacokinetic performance was also tested in a human pilot study. This pharmaceutical ionic cocrystal exhibits superior solubilization kinetics and modulates important pharmacokinetic values such as maximum concentration in plasma (Cmax), time to maximum concentration (tmax), and area under the plasma concentration-time curve (AUC) of the poorly soluble vinpocetine and it therefore offers an innovative approach to improve its bioavailability
Interpenetrated hybrid ultramicroporous materials: insight into structure-property relationships
No full textCrystal Engineering is the field of chemistry that studies the design, properties,
and application of crystalline materials. An aspect of crystal engineering is the design of
coordination networks using linker ligands that cross-link transition metal nodes.
Coordination networks that can exhibit permanent porosity have attracted attention for
their potential application in gas storage, separation, and catalysis. In the context of
separations, 15% of global energy costs are associated with separation of chemical
commodities. That some coordination networks are inherently modular through
node/linker substitution enables crystal engineering studies that can provide insight into
structure-function relationships. Square lattice (sql) coordination networks were perhaps
the first class of coordination networks to undergo systematic study; thanks mainly to
their propensity to form from many nodes and linkers. Further, some sql coordination
networks can be pillared to afford primitive cubic (pcu) coordination networks, offering
modularity that, in principle, has at least four variables: node, linker, pillar,
interpenetration. A class of pillared sql coordination networks known as Hybrid
Ultramicroporous Materials (HUMs) has recently set new benchmarks for several
important gas separations thanks to their ultramicropores (≤0.7 nm) which are lined by
inorganic pillars that can act as molecular traps for small gas molecules. For example,
ethylene (C2H4) is the highest volume chemical feedstock and contains ca. 1% acetylene
(C2H2) impurities that must be removed. The goal herein is to conduct crystal engineering
studies of interpenetrated HUMs in the context of C2H2/C2H4 gas separations and
hydrolytic stability. The insight found herein may afford better design principles for future porous coordination networks in terms of performance and stability. Chapter 1
introduces crystal engineering, coordination networks, and HUMs.
Chapter 2 addresses the C2H2/C2H4 separation performance of the two-fold
interpenetrated pcu (pcu-c) HUM, SIFSIX-14-Cu-i ([Cu(1,2-bis(4-
pyridyl)diazene)2(SiF6)]n). Sorption-based gas separation/purification is hindered by a
general inverse relationship between selectivity and uptake capacity in porous materials.
Ideal molecular sieves could be a compromise with pores that block larger gas molecules
and adsorb high quantities of smaller gas molecules. SIFSIX-14-Cu-i has
ultramicropores (3.4 Å) that effectively exclude C2H4 molecules but is constructed from
SiF6
2-
pillars yielding benchmark C2H2 uptake (58 cm3
cm-3
at 0.01 bar) and selectivity at
298 K (>6000 vs 44 for the previous benchmark, SIFSIX-2-Cu-i ([Cu(1,2-bis(4-
pyridyl)acetylene)2(SiF6)]n)). Dynamic gas breakthrough studies further confirm
separation performance with an effluent C2H4 production of 87.5 mmol/g (99.9999%
pure) and capturing 1.18 mmol/g C2H2 per cycle.
Chapter 3 reports on the rare and poorly understood phenomenon of partial
interpenetration and its potential relevance to gas separations as it could, in principle,
enable an increase in uptake capacity without reducing selectivity. Systematic synthesis
afforded solid solutions of SIFSIX-14-Cu-i and its non-interpenetrated pcu polymorph
SIFSIX-14-Cu. Solid solutions exhibited proportions of two-fold interpenetration
ranging from 70-99%. C2H2/C2H4 gas separation studies reveal that partial
interpenetration negatively affects separation performance and is attributed to a reduction
in the bulk density of C2H2 molecular traps.
Chapter 4 details the study of linker and pillar substitution, enabling greater
understanding of how subtle differences in structure may affect properties. The pcu-c
HUMs TIFSIX-2-Cu-i ([Cu(1,2-bis(4-pyridyl)acetylene)2(TiF6)]n) and TIFSIX-4-Cu-i
([Cu(1,4-bis(4-pyridyl)benzene)2(TiF6)]n) demonstrate that variations in linkers and
pillars can affect C2H2/C2H4 separation performances. Whereas TiF6
2-
pillars impart
stronger electrostatics and improved performance in TIFSIX-2-Cu-i (compared with
SIFSIX-2-Cu-i), the longer ligand in TIFSIX-4-Cu-i leads to larger pores and weaker
sorbent-sorbate interactions. Indeed, TIFSIX-4-Cu-i exhibits offset interpenetration
resulting in two types of pores. Gas sorption studies of TIFSIX-4-Cu-i exhibited a
stepped isotherm as a result of sequential pore filling.
Chapter 5 continues the study of linker/pillar substitution, with TIFSIX-14-Cu-i
([Cu(1,2-bis(4-pyridyl)diazene)2(TiF6)]n) and NbOFFIVE-2-Cu-i ([Cu(1,2-bis(4-
pyridyl)acetylene)2(NbOF5)]n), and its effect on C2H2/C2H4 gas separations. Although
these pillars would be expected to afford the strongest electrostatics, an evaluation of
bond lengths reveals that subtle pore size effects can be more influential. This observation
leads to the conclusion that there is an optimal balance between pore size and pore
chemistry that yields benchmark performances.
Chapter 6 reports water vapour sorption in four hybrid materials; benchmarks for
C2H2 capture (SIFSIX-14-Cu-i, SIFSIX-2-Cu-i, and SIFSIX-1-Cu) and CO2 capture
(SIFSIX-3-Ni). The effects of water vapour on performance and stability remain
understudied, despite practical relevance. Three materials exhibit a negative-water vapour-sorption phenomenon wherein adsorbed vapour uptake decreases as pressure
increases and is attributed to a water-vapour-induced phase transformation, where initial
structures convert to sql or interpenetrated square lattices (sql-c*). Although studied, the
mechanisms by which coordination networks change degrees and modes of
interpenetration are not understood. SIFSIX-2-Cu-i retained its structure leading to an
understanding of the interactions controlling hydrolytic stability.
Chapter 7 extends the study of water vapour sorption with SIFSIX-7-Cu,
TIFSIX-7-Cu, and GEFSIX-7-Cu ([Cu(1,2-bis(4-pyridyl)ethylene)2(MF6)]n; M = Si, Ti,
Ge). Water vapour adsorption is observed to lead each compound to undergo the pcu to
sql-c* phase transformation at different relative humidity levels, underlining the different
interaction strengths imparted by each pillar. Further, a structural analysis suggests that
the close packing of the sql-c* phase may inhibit structures with longer ligands from
undergoing this irreversible phase transformation.
Chapter 8 offers a conclusion to the crystal engineering of interpenetrated HUMs
reported herein and looks towards possible future directions. The synthesis of solid
solutions and substitution of linkers and pillars provide an understanding of structure-property relationships in C2H2/C2H4 gas separations and water vapour sorption with a
view to designing future porous coordination networks with improved performance and
stability
Synthesis and structural characterization of cyclic aryl ethers.
No full textThe facile preparation of macrocyclic ethers is achieved using S NAr reactions of (dichlorobenzene)CpFe + complexes with various dinucleophiles, followed by photolytic demetallation; X-ray crystallography gives unequivocal structural proof for one of these macrocycles
Water sorption studies with mesoporous multivariate monoliths based on UiO-66
Full text linkHierarchical linker thermolysis has been used to enhance the porosity of monolithic UiO-66-based metal–organic frameworks (MOFs) containing 30 wt% 2-aminoterephthalic acid (BDC-NH2) linker. In this multivariate (i.e. mixed-linker) MOF, the thermolabile BDC-NH2 linker decomposed at ∼350 °C, inducing mesopore formation. The nitrogen sorption of these monolithic MOFs was probed, and an increase in gas uptake of more than 200 cm3 g−1 was observed after activation by heating, together with an increase in pore volume and mean pore width, indicating the creation of mesopores. Water sorption studies were conducted on these monoliths to explore their performance in that context. Before heating, monoUiO-66-NH2-30%-B showed maximum water vapour uptake of 61.0 wt%, which exceeded that reported for either parent monolith, while the highly mesoporous monolith (monoUiO-66-NH2-30%-A) had a lower maximum water vapour uptake of 36.2 wt%. This work extends the idea of hierarchical linker thermolysis, which has been applied to powder MOFs, to monolithic MOFs for the first time and supports the theory that it can enhance pore sizes in these materials. It also demonstrates the importance of hydrophilic functional groups (in this case, NH2) for improving water uptake in materials
Theoretical investigation of the effect of subtle structural dynamics on CO2 sorption in TIFSIX-3-Ni, a hybrid ultramicroporous material (HUM)
No full textThe release of carbon dioxide (CO2) emissions into the atmosphere is a leading contributor to global warming. Carbon capture and sequestration (CCS) strives to mitigate the effects of CO2 on the atmosphere, traditionally by expensive and energy-intensive chemisorptive approaches. CO2 capture by physisorbents such as hybrid ultramicroporous materials (HUMs) is a step toward cheaper and more efficient CCS. In this study, the effect of pyrazine ring orientation upon CO2 adsorption is investigated for TIFSIX-3-Ni, a leading HUM for CO2 selectivity. Rigid systems are constructed by eliminating disorder from the unit cell as determined by in situ characterization. Density Functional Theory (DFT) and Grand Canonical Monte Carlo (GCMC) methods are used to investigate the effect of tilting and ordering pyrazine rings upon CO2 loading and isosteric heat of adsorption (Qst). Results show that more edge to face interactions between pyrazine CH moieties and the CO2 molecule induce a preferred binding site. Systems with chemically distinct binding sites exhibit a Qst trend comparable to that which is experimentally observed, showing first preference for binding in smaller pores using models treated with both UFF and OPLS-AA Lennard-Jones parameters. It is also noted that the degree of pyrazine ring tilting affects the energetics of the sorbent-sorbate interactions, meriting further study. This work highlights the importance of subtle structural dynamics in adsorption performance of leading porous materials, and can be used to guide further fine-tuning of physisorbent materials for gas sorption applications
Metal-organic materials as electrode precursors and hosts for lithium-ion and lithium-sulfur batteries
No full textThis thesis describes the development of a range of metal oxide, metal chalcogenide and metal alloy composites, using metal-organic materials (MOMs) as sacrificial precursors and their application as electrode materials in next generation Li-ion batteries. A porous MOM was also implemented as a potential sulfur host in Lithium Sulfur (LiS) batteries.
The phase-controlled synthesis of MOM (HKUST-1) derived copper sulfide (CuxS)/C (x = 1, 1.8, 2) composites, via sulfurisation, for the application as cathode materials in Li-ion batteries is described in Chapter 3. This study demonstrates the link between the sulfurisation temperature of the HKUST-1 and the resultant CuxS phase formed with Cu-rich phases formed at higher temperatures. The results indicate the cathode performance is dependent on both the phase of the CuxS and the crystal morphology with the Cu1.8S/C-500 composite with nanowires exhibited the best performance with a specific capacity of 200 mAh/g).
Chapter 4 details the synthesis of a new bimetallic 2D interpenetrated MOM and its use as a sacrificial template for the formation of Cu2SnS3/SnS2/C composite and its application as an anode material in Li-ion batteries. The lithiation/delithiation mechanisms of the Cu2SnS3/SnS2/C material were explored as well as the optimisation of the anode testing conditions, leading to the use of a 1 V upper cycling cut-off rather than the conventional voltage limit of 3 V. Cu2SnS3/SnS2/C anodes retained 84 % of their specific capacity after 100 cycles.
Chapter 5 explores the synthesis of a range of metal oxide, selenide and alloy composite materials derived from the same MOM precursor demonstrating the versatility of the
starting template. This represents the first metal alloy-in-carbon composite from a MOM starting material. Their electrochemical performances are compared with the metal alloy exhibiting the best performance.
Chapter 6 details the encapsulation of sulfur within a porous MOM, TIFSIX-1-Cu, for use as a cathode material in LiS batteries. Importantly, the results from the initial electrochemical testing indicate that the interaction between the host material and the electrolyte is very important and demonstrates that a thorough screening process is needed to ensure the stability of the host material prior to sulfur encapsulation and electrochemical testing. TIFSIX-1-Cu interacts with the salts in the electrolyte causing it to be destroyed and meaning that it can no longer act as an effective sulfur host
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