Primary studyCore evidenceThin Film Device

Multiscale optimization of Li-ion diffusion in solid lithium metal batteries: Via ion conductive metal-organic frameworks

Zhang Q., Li D., Wang J. et al. · Nanoscale · 2020 · 6976-6982

13materials
20samples
16synthesis routes
25measurements
63results
6claims 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: Medium

The LCMOF strategy is applicable to -SO3H and -OH functionalised MOFs, not only LCMOF-1.

Caveat: LCMOF-2/3 evidence is battery cycling only; detailed framework characterisation is less extensive than for LCMOF-1.

p006 / 6981 · Results and discussion · Fig. 4h,i · Linked to 2 structured results

Application RelevanceSupport assessment: High

The flexible LCMOF-1 composite SE lowers Li/SE interfacial impedance and enables stable Li plating/stripping compared with MOF-free PVDF-HFP/Li-IL.

Caveat: Plating/stripping current is reported as mA rather than area-normalised current density in the text.

p005 / 6980 · Results and discussion · Fig. 3; Fig. S13 · Linked to 5 structured results

Application RelevanceSupport assessment: High

The optimised flexible LCMOF-1 composite SE supports Li|SE|LiFePO4 cycling from -20 to 60 deg C with high capacity retention.

Caveat: Battery performance is application-level and includes cathode/electrode effects as well as SE transport.

p006 / 6981 · Results and discussion · Fig. 4e-g · Linked to 3 structured results

Composite RoleSupport assessment: High

Adding a small amount of Li-IL to the LCMOF-1/PVDF-HFP membrane improves grain-boundary Li+ transport and raises flexible-SE conductivity to 1.06 x 10^-3 S cm^-1.

Caveat: The optimum is within the ratios tested; 0.75 mL g^-1 became gel-like and was not pursued.

p005 / 6980 · Results and discussion · Fig. S11 · Linked to 3 structured results

Structure Property LinkSupport assessment: High

The drop in BET surface area after LiTFSI/PC treatment indicates incorporation of ions and PC molecules into UiO-66-2CO2H pores.

Caveat: BET/ICP-MS show incorporation but do not quantify all guest species independently.

p003-p004 / 6978-6979 · Results and discussion · Fig. S5 · Linked to 3 structured results

Transport MechanismSupport assessment: High

Ionogenic -CO2H groups act as favourable Li+ relay centres, lowering diffusion barriers and improving conductivity relative to UiO-66 and UiO-66-CO2H controls.

Caveat: Mechanism is supported by NEB modelling and pellet EIS, but microscopic Li sites are not directly observed experimentally.

p003-p004 / 6978-6979 · Results and discussion · Fig. 1; Fig. S2 · Linked to 6 structured results

Material identities

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

MaterialCompositionStructure contextSource
LCMOF-1Li+ grafted UiO-66-2CO2H with LiTFSI/PC speciesZr6O4(OH)4 clusters · BDC-2CO2H bearing Li+-bound ionogenic sites3D · PristineMain Li+ conductive MOF obtained by LiTFSI/PC loading of UiO-66-2CO2H-NDP.p003 / 6978 · Results and discussion · Fig. 1d
Flexible LCMOF-1/PVDF-HFP/Li-IL composite solid electrolyteLCMOF-1 + PVDF-HFP + Li-ILZr clusters in LCMOF-1 · BDC-2CO2H in LCMOF-1 plus PVDF-HFP polymer and Li-ILunknown · CompositeFlexible composite membrane in which Li-IL bridges LCMOF grain boundaries.p004-p005 / 6979-6980 · Results and discussion · Fig. 2
LCMOF-1/PVDF-HFP composite solid electrolyteLCMOF-1 + PVDF-HFPZr clusters in LCMOF-1 · BDC-2CO2H in LCMOF-1 plus PVDF-HFP polymerunknown · CompositeComposite SE made from 90 wt% LCMOF-1 and 10 wt% PVDF-HFP.p004 / 6979 · Results and discussion · Fig. 1e,f
LCMOF-2Li+ grafted UiO-66-SO3HZr clusters · SO3H-functionalised UiO-66 linker3D · PristineLi+ conductive MOF with -SO3H ionogenic groups.p002 / 6977 · Introduction
Flexible LCMOF-2/PVDF-HFP/Li-IL composite solid electrolyteLCMOF-2 + PVDF-HFP + Li-ILZr clusters in LCMOF-2 · SO3H-functionalised MOF plus PVDF-HFPunknown · CompositeFlexible composite SE prepared from LCMOF-2.p006 / 6981 · Results and discussion · Fig. 4h
LCMOF-3Li+ grafted UiO-66-2OHZr clusters · 2OH-functionalised UiO-66 linker3D · PristineLi+ conductive MOF with -OH ionogenic groups.p002 / 6977 · Introduction
Flexible LCMOF-3/PVDF-HFP/Li-IL composite solid electrolyteLCMOF-3 + PVDF-HFP + Li-ILZr clusters in LCMOF-3 · OH-functionalised MOF plus PVDF-HFPunknown · CompositeFlexible composite SE prepared from LCMOF-3.p006 / 6981 · Results and discussion · Fig. 4i
PVDF-HFP/Li-IL control electrolytePVDF-HFP + Li-ILPVDF-HFP polymerunknown · CompositeMOF-free polymer/ionic-liquid control membrane.p005 / 6980 · Results and discussion · Fig. S13
UiO-66Zr6O4(OH)4(BDC)6Zr6O4(OH)4 clusters · BDC / 1,4-benzenedicarboxylate3D · PristineParent UiO-66 zirconium MOF used as a pristine/control framework and DFT model.p003 / 6978 · Results and discussion · Fig. 1a,d
UiO-66-2CO2HZr6O4(OH)4(BDC-2CO2H)6Zr6O4(OH)4 clusters · BDC-2CO2H / 1,2,4,5-benzenetetracarboxylate-derived linker3D · PristineDicarboxyl-functionalised UiO-66 analogue; nanoscale dispersed UiO-66-2CO2H-NDP is the LCMOF-1 precursor.p002-p003 / 6977-6978 · Introduction; Results and discussion · Fig. 1c
UiO-66-2OHZr UiO-66 analogue with 2OH groupsZr clusters · 2,5-dihydroxyterephthalate3D · PristineDihydroxy-functionalised UiO-66 analogue used to prepare LCMOF-3.p002 / SI page 2 · Synthesis of nanoparticles of MOFs
UiO-66-CO2HZr6O4(OH)4(BDC-CO2H)6Zr6O4(OH)4 clusters · BDC-CO2H / 1,2,4-benzenetetracarboxylate-derived linker3D · PristineMonocarboxyl-functionalised UiO-66 analogue used as control and DFT model.p003 / 6978 · Results and discussion · Fig. 1b,d
UiO-66-SO3HZr UiO-66 analogue with BDC-SO3H groupsZr clusters · sodium 2,5-dicarboxybenzenesulfonate-derived sulfonate linker3D · PristineSulfonic-acid-functionalised UiO-66 analogue used to prepare LCMOF-2.p002 / SI page 2 · Synthesis of nanoparticles of MOFs

Sample register

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

Show 20 sample records
SampleForm and roleProcessing and geometrySource
Li|flexible LCMOF-1 composite SE|LiFePO4 cellresearch_0632__mat__mat_lcmof1_flexElectrode · Composite Sample · CompositeRechargeable SSB using the optimised flexible composite SE.aluminium foil cathode current collectorp005-p006 / 6980-6981 · Results and discussion · Fig. 4a-g
Flexible LCMOF-1/PVDF-HFP/Li-IL SEresearch_0632__mat__mat_lcmof1_flexThin Film · Composite Sample · CompositeFlexible cast membrane with LCMOF-1, PVDF-HFP, and Li-IL; stored in argon glove box and activated before testing.p004-p005 / 6979-6980 · Results and discussion · Fig. 2
LCMOF-1 half-inch pelletresearch_0632__mat__mat_lcmof1Pellet · Target Sample · Guest LoadedUiO-66-2CO2H-NDP loaded with LiTFSI/PC, dried, pressed into half-inch pellets.half inch pellet diameterp004 / 6979 · Results and discussion · Fig. 1d
Li|LCMOF-1/PVDF-HFP SE|LiFePO4 cellresearch_0632__mat__mat_lcmof1_pvdfElectrode · Composite Sample · CompositeRechargeable SSB with LCMOF-1/PVDF-HFP composite SE.aluminium foil cathode current collectorp004 / 6979 · Results and discussion · Fig. 1e,f
90 wt% LCMOF-1/10 wt% PVDF-HFP SEresearch_0632__mat__mat_lcmof1_pvdfThin Film · Composite Sample · CompositeComposite solid-electrolyte membrane used in Li|SE|LFP cells.p004 / 6979 · Results and discussion · Fig. 1e,f
Li|flexible LCMOF-2 composite SE|LiFePO4 cellresearch_0632__mat__mat_lcmof2_flexElectrode · Composite Sample · CompositeRechargeable SSB using LCMOF-2/PVDF-HFP/Li-IL composite SE.aluminium foil cathode current collectorp006 / 6981 · Results and discussion · Fig. 4h
LCMOF-2 powderresearch_0632__mat__mat_lcmof2Powder · Target Sample · Guest LoadedUiO-66-SO3H loaded by the generic LCMOF LiTFSI/PC procedure.p003 / SI page 3 · Synthesis of LCMOFs
Li|flexible LCMOF-3 composite SE|LiFePO4 cellresearch_0632__mat__mat_lcmof3_flexElectrode · Composite Sample · CompositeRechargeable SSB using LCMOF-3/PVDF-HFP/Li-IL composite SE.aluminium foil cathode current collectorp006 / 6981 · Results and discussion · Fig. 4i
LCMOF-3 powderresearch_0632__mat__mat_lcmof3Powder · Target Sample · Guest LoadedUiO-66-2OH loaded by the generic LCMOF LiTFSI/PC procedure.p003 / SI page 3 · Synthesis of LCMOFs
Li+@UiO-66-CO2H pelletresearch_0632__mat__mat_uio66_co2hPellet · Pristine Control · Guest LoadedUiO-66-CO2H subjected to the same Li+ loading procedure as LCMOF-1.p004 / 6979 · Results and discussion · Fig. 1d
Li+@UiO-66 pelletresearch_0632__mat__mat_uio66Pellet · Pristine Control · Guest LoadedUiO-66 subjected to the same Li+ loading procedure as LCMOF-1.p004 / 6979 · Results and discussion · Fig. 1d
PVDF-HFP/Li-IL control membraneresearch_0632__mat__mat_pvdf_liilThin Film · Pristine Control · CompositeMOF-free polymer/ionic-liquid control membrane.p005 / 6980 · Results and discussion · Fig. 2d; Fig. S13-S14
UiO-66-2CO2H DFT modelresearch_0632__mat__mat_uio66_2co2hModel · Model System · ModelPeriodic computational model for Li+ diffusion.p003 / 6978 · Results and discussion · Fig. 1c
UiO-66-2CO2H-NDPresearch_0632__mat__mat_uio66_2co2hPowder · Pristine Control · Pristine FrameworkNanoscale dispersed particles collected by centrifugation and washing.p003 / 6978 · Results and discussion · Fig. S3b
UiO-66-2OH powderresearch_0632__mat__mat_uio66_2ohPowder · Pristine Control · Pristine FrameworkAutoclave-synthesised dihydroxy-functionalised MOF powder.p002 / SI page 2 · Synthesis of nanoparticles of MOFs
UiO-66-CO2H DFT modelresearch_0632__mat__mat_uio66_co2hModel · Model System · ModelPeriodic computational model for Li+ diffusion.p003 / 6978 · Results and discussion · Fig. 1b
UiO-66-CO2H powderresearch_0632__mat__mat_uio66_co2hPowder · Pristine Control · Pristine FrameworkHydrothermal/reflux-prepared powder; precursor for Li+@UiO-66-CO2H.p003 / SI page 3 · Synthesis of nanoparticles of MOFs
UiO-66 DFT modelresearch_0632__mat__mat_uio66Model · Model System · ModelPeriodic computational model for Li+ diffusion.p003 / 6978 · Results and discussion · Fig. 1a
UiO-66 powderresearch_0632__mat__mat_uio66Powder · Pristine Control · Pristine FrameworkSolvothermally prepared white powder; precursor for Li+@UiO-66.p002 / SI page 2 · Synthesis of nanoparticles of MOFs
UiO-66-SO3H powderresearch_0632__mat__mat_uio66_so3hPowder · Pristine Control · Pristine FrameworkAutoclave-synthesised sulfonate-functionalised MOF powder.p002 / SI page 2 · Synthesis of nanoparticles of MOFs