Majidi L., Ahmadiparidari A., Shan N. et al. · Small · 2022 · 2102902
Open a family to keep every result attached to its sample, method and conditions.
Paraphrased for this database from the authors’ stated interpretations — never quoted verbatim — and kept separate from reported measurements.
GDE-supported Cu-THQ enables Li-O2 cycling with lower charge potential and longer cycle life than the GDE-only control.
Caveat: Battery performance is for the full Cu-THQ/GDE + InBr3/LiNO3/TEGDME system; not Cu-THQ alone.
4 · S5. Li-O2 Battery Performance and Control Experiments · Figure S5 · Linked to 5 structured results
The paper does not provide the full chemical synthesis recipe for bulk Cu-THQ; it reports exfoliation of previously synthesized bulk Cu-THQ and cites earlier work.
Caveat: The nanoflake exfoliation route is extracted; full bulk synthesis should not be inferred.
8 · Acknowledgements
InBr3 works synergistically with the c-MOF by forming an In-based SEI on the lithium anode and supplying Br- redox mediator for Li2O2 oxidation/decomposition.
Caveat: Role of Br- redox mediator is partly based on prior literature and mechanistic interpretation.
7 · 4. Discussions · Linked to 3 structured results
The Cu-THQ crystal structure is preserved after liquid-phase exfoliation into nanoflakes.
Caveat: Supported by HRTEM comparison to calculated AB stacking spacings; full bulk synthesis details are in prior work.
2 · 2.1. Cu-THQ Nanoflakes Characterization · Figure 1c-e · Linked to 3 structured results
Li2O2 is the dominant reversible discharge product, with no detected CO2 or H2O by-products after charge.
Caveat: XRD shows Li2O2 peaks only after deep discharge; after 10th discharge product is partly amorphous/nanocrystalline.
4 · 2.3. Characterization of Discharge Product · Figure 2b-c · Linked to 5 structured results
Nanocrystalline Li2O2 embedded in amorphous Li2O2 on Cu-THQ is proposed to aid electronic transport and lower charge potential.
Caveat: Mechanistic link is argued from structural characterisation, cited literature, and performance, not a direct conductivity measurement of the discharge product in this paper.
6 · 4. Discussions · Linked to 3 structured results
DFT indicates Li2O2 formation and subsequent cluster growth are thermodynamically favourable on Cu-THQ, with Cu as the likely initial growth site.
Caveat: Computational model; no synthesis route is inferred from DFT.
7 · 5. Conclusions · Figure 4; Table S2 · Linked to 7 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| copper tetrahydroxyquinoneBrowse family: Cu₃(C₆O₆)₂ (Cu–THQ / Cu–HHB) | Cu-THQCu · tetrahydroxyquinone (THQ) | 2D · Pristine2D copper-based conductive MOF with honeycomb pores and AB stacking model; HRTEM d110 = 1.13 nm and d020 = 1.10 nm. | 2 · 2.1. Cu-THQ Nanoflakes Characterization · Figure 1 |
| bilayer Cu-THQ modelBrowse family: Cu₃(C₆O₆)₂ (Cu–THQ / Cu–HHB) | bilayer Cu-THQCu · tetrahydroxyquinone (THQ) | 2D · Model SystemBilayer Cu-THQ model with Hole I and Hole II mesoholes for (Li2O2)n adsorption. | 13 · S12. Density Functional Theory (DFT) Calculations · Figure S16 |
| Cu-THQ clean surface modelBrowse family: Cu₃(C₆O₆)₂ (Cu–THQ / Cu–HHB) | Cu-THQ slabCu · tetrahydroxyquinone (THQ) | 2D · Model SystemSingle-layer Cu-THQ slab model with 15 A vacuum region in z direction. | 12 · S12. Density Functional Theory (DFT) Calculations |
| gas diffusion electrode control | GDE | unknown · UnknownSigracet 25 BC gas diffusion electrode substrate/control. | 7 · Experimental Section |
| lithium metal anode | LiLi | 0D · UnknownBare lithium chips used as anode and in Li||Li symmetric cells. | 2 · 2.2. Battery Performance |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| bilayer Cu-THQ DFT modelresearch_0820__mat__mat_cuthq_model_bilayer | Model · Model System · Model | bilayer Cu-THQ with optimized (Li2O2)n adsorbatesbilayer model | 14 · S12. Density Functional Theory (DFT) Calculations · Figure S17 |
| previously synthesized bulk Cu-THQ powderresearch_0820__mat__mat_cuthq | Powder · Pristine Control · Pristine Framework | bulk powder precursor for exfoliation; synthesis cited to prior work | 2 · 2.1. Cu-THQ Nanoflakes Characterization |
| Cu-THQ nanoflakesresearch_0820__mat__mat_cuthq | Nanosheet · Target Sample · Pristine Framework | liquid-phase exfoliated nanoflakes collected as supernatant after centrifugation | 2 · S1. Synthesis of Cu-THQ Nano-flakes (NFs) |
| Cu-THQ nanoflakes coated on GDEresearch_0820__mat__mat_cuthq | Electrode · Composite Sample · Composite | 100 mg Cu-THQ NFs coated on 1 cm2 GDE for cathode experimentsgas diffusion electrode (GDE, Sigracet 25 BC) | 7 · Experimental Section |
| single-layer Cu-THQ DFT surfaceresearch_0820__mat__mat_cuthq_model_surface | Model · Model System · Model | DFT slab model with adsorbed O2/LiO2/Li2O2/Li3O2/Li3O4/Li4O4 intermediatesone Cu-THQ layer; 15 A vacuum region | 12 · S12. Density Functional Theory (DFT) Calculations |
| discharged Cu-THQ/GDE cathoderesearch_0820__mat__mat_cuthq | Electrode · Composite Sample · Guest Loaded | Cu-THQ cathode after Li-O2 battery discharge; contains Li2O2 discharge productGDE | 3 · 2.3. Characterization of Discharge Product · Figure 2 |
| GDE-only cathode controlresearch_0820__mat__mat_gde_control | Electrode · Pristine Control · Unknown | GDE cathode without Cu-THQ catalystgas diffusion electrode | 4 · S5. Li-O2 Battery Performance and Control Experiments · Figure S5 |
| Li||Li symmetric cellresearch_0820__mat__mat_lithium_anode | Unknown · Paper Level Unspecified · Unknown | two bare Li chips separated with Celgard 3401 membrane | 7 · Experimental Section |