Primary studyCore evidenceTransport Physics

A Monocrystalline Coordination Polymer with Multiple Redox Centers as a High-Performance Cathode for Lithium-Ion Batteries

Luo Y., Liu J., Zhang L. · Angewandte Chemie - International Edition · 2022 · e202209458

4materials
9samples
4synthesis routes
17measurements
62results
5claims and caveats

Evidence map

Open a family to keep every result attached to its sample, method and conditions.

Author interpretations and caveats

Paraphrased for this database from the authors’ stated interpretations — never quoted verbatim — and kept separate from reported measurements.

Application RelevanceSupport assessment: High

CuCA is presented as a high-performance LIB cathode because it combines high initial capacity, high-rate capacity and retained capacity after 50 cycles with quasi-solid-state electrolyte.

Caveat: Electrode is a composite with 30 wt% conductive carbon and 10 wt% binder; full-cell practical metrics were not reported.

7 · Conclusion · Linked to 3 structured results

CaveatSupport assessment: Medium

Capacity decay in CuCA cells is attributed to generated intermediate materials dissolving in the trace liquid electrolyte and crossing the solid-state electrolyte film.

Caveat: Dissolution of intermediate materials is inferred from cycling decay and electrolyte film colour changes, not directly chemically quantified in the extracted results.

5 · Results and Discussion · Figure S12 · Linked to 3 structured results

Structure Property LinkSupport assessment: High

CuCA is a pi-d conjugated coordination polymer where O 2p and Cu 3d orbital hybridisation enables electron transfer along CuCA chains and high electronic conductivity.

Caveat: Conductivity is measured on a pressed pellet, while orbital hybridisation and band gap are computational.

7 · Results and Discussion · Figure 3e-f · Linked to 3 structured results

Structure Property LinkSupport assessment: High

The monocrystalline layered CuCA structure, large (201) interspacing, low DFT diffusion barrier and GITT diffusion coefficients are proposed to enable fast Li+ diffusion and good rate capability.

Caveat: Li diffusion barrier is computational and GITT reports a broad coefficient range.

7 · Results and Discussion · Figure 4f; Figure S7 · Linked to 6 structured results

Transport MechanismSupport assessment: High

CuCA stores charge through multiple redox centres: Cu2+/Cu+ near 3.0 V and two carbonyl-based reductions near 2.3 V and 2.0 V.

Caveat: Ex situ mechanistic tests used liquid electrolyte rather than the quasi-solid electrolyte because cycled quasi-solid cells were difficult to separate.

2 · Results and Discussion · Figure 1b · Linked to 7 structured results

Material identities

Names and aliases are kept exactly within the paper’s own identity model.

MaterialCompositionStructure contextSource
chloranilic acid (CA)C6H2Cl2O4none · molecular ligand/control0D · PristineMolecular carbonyl ligand and dissolution/electrochemical control.3 · Experimental Procedures
copper(II) chloranilate (CuCA)C6O4Cl2CuCu2+ square-planar CuO4 nodes · chloranilate / deprotonated chloranilic acid (CA2-)1D · PristineMonoclinic Pa; alternating Cu2+ and CA2- chain structure along b axis, pi-d conjugated, layered by pi-pi stacking, monocrystalline nanosheets.2-3 · Results and Discussion · Figures 1-2
potassium chloranilate (K2CA)K2C6O4Cl2K+ counterions; no transition-metal coordination node · chloranilate0D · PristinePrecursor salt/control for CuCA electrochemistry.2 · Results and Discussion · Figure 1a
PPC-PEO-LiTFSI-Al2O3 composite solid-state electrolyte filmNot specifiednot applicable · not applicableunknown · CompositeComposite polymer/ceramic electrolyte film used in CuCA and K2CA battery tests.3 · Experimental Procedures

Sample register

Sample form, processing state and composition status define the context for measurements.

Show 9 sample records
SampleForm and roleProcessing and geometrySource
CA in liquid-electrolyte controlresearch_0518__mat__caPowder · Pristine Control · UnknownCA solubility and liquid-electrolyte electrochemical control15 · Results and Discussion · Figure S11
CuCA periodic DFT modelresearch_0518__mat__cucaModel · Model System · Modelspin-polarised periodic DFT model4 · Theoretical Calculations
CuCA composite electrode in liquid-electrolyte LIB coin cellresearch_0518__mat__cucaElectrode · Composite Sample · CompositeCuCA/KB/CMC composite electrode tested with 1.0 M LiTFSI in DME/DOL and Celgard 2400 or GFD separatorAl foil or Be slice for in situ XRD6 · Results and Discussion · Figure 5
CuCA composite electrode in quasi-solid-state LIB coin cellresearch_0518__mat__cucaElectrode · Composite Sample · Composite60 wt% CuCA, 30 wt% Ketjenblack, 10 wt% CMC slurry cast on Al foil; dried at 120 C for 10 h; paired with PPC-PEO-LiTFSI-Al2O3 film plus liquid LiTFSI DME/DOL wettingAl foil3 · Electrochemical Measurements
pressed CuCA pellet for four-point proberesearch_0518__mat__cucaPellet · Target Sample · Pristine Framework254.0 mg CuCA powder pressed in 13 mm mould at 20.0 MPa for 10 min~0.78 mm3 · Material Characterizations
as-synthesised CuCA nanosheet powderresearch_0518__mat__cucaNanosheet · Target Sample · Pristine Frameworkdark green precipitate, washed and vacuum-dried; used for structural, porosity, spectroscopy and thermal characterisationca. 30 nm nanosheet thickness3 · Results and Discussion · Figure 2d-f
PPC-PEO-LiTFSI-Al2O3 composite solid-state electrolyte filmresearch_0518__mat__ppc_peo_litfsi_al2o3Thin Film · Composite Component · Compositesolution cast on 6 cm x 8 cm cellulose nonwoven membrane, dried, cut to 16 mm discscellulose nonwoven membrane3 · Synthesis of PPC-PEO-LiTFSI-Al2O3 Composite Solid-State Electrolyte Film
K2CA composite electrode in quasi-solid-state LIB coin cellresearch_0518__mat__k2caElectrode · Pristine Control · Compositeactive material/KB/CMC composite electrode tested with PPC-PEO-LiTFSI-Al2O3 based quasi-solid-state electrolyteAl foil4-5 · Results and Discussion · Figure 4d-e and Figure S5
potassium chloranilate precursor powderresearch_0518__mat__k2caPowder · Pristine Control · Unknownprecipitated, centrifuged, ethanol-washed and vacuum-dried3 · Synthesis of copper(II) chloranilate of CuCA