Primary studyCore evidenceTransport Physics

Mixed Anionic and Cationic Redox Chemistry in a Tetrathiomolybdate Amorphous Coordination Framework

Zhu Q., Wang J., Liu X. et al. · Angewandte Chemie - International Edition · 2020 · 16579-16586

4materials
9samples
5synthesis routes
13measurements
51results
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.

CaveatSupport assessment: High

In situ XRD found no crystalline Li2S, Na2S, or S8 formation during electrochemical conversion, supporting maintained amorphous <Na2MoS4> rather than crystalline side-product formation.

Caveat: XRD would be insensitive to amorphous side products or phases below detection limits.

5 (16583) · Results and Discussion · Figure 4 · Linked to 1 structured result

CaveatSupport assessment: High

Extraction of the second Na cation at high voltage is irreversible and leads to rapid capacity loss and signs of elemental sulfur redox.

11 · Figure S7 caption · Figure S7 · Linked to 1 structured result

Phase AssignmentSupport assessment: Medium

The dehydrated <Na2MoS4> target is best described as a Na-rich amorphous coordination polymer/framework rather than a confirmed single crystalline phase.

Caveat: Authors state that further studies are required and possible co-existence of several phases cannot be excluded.

3 (16581) · Results and Discussion · Linked to 3 structured results

Structure Property LinkSupport assessment: High

The intrinsic electronic conductivity of dehydrated <Na2MoS4> is sufficient to operate carbon-free Li half-cell electrodes with substantial capacity.

Caveat: Adding Super P improves active-material utilisation and increases capacity to about 460 mAh g-1.

7 (16585) · Results and Discussion · Figure 6 · Linked to 3 structured results

Transport MechanismSupport assessment: High

Charge storage involves combined Mo cationic redox and sulfide/disulfide anionic redox, with predominant sulfide redox above 2 V and Mo redox at lower potentials.

Caveat: Li/Na cation exchange occurs in Li half-cells, so exact alkali content could not be determined from XPS.

7 (16585) · Conclusion · Figure 3 · Linked to 5 structured results

Transport MechanismSupport assessment: High

<Na2MoS4> and Na2MoS4.3.5H2O are mixed ionic-electronic conductors; dehydrated <Na2MoS4> has dominant measurable electronic conduction.

Caveat: Direct ionic conductivity of dehydrated <Na2MoS4> was not separately measured and is inferred from electrochemical performance and EIS behaviour.

7 (16585) · Conclusion · Linked to 4 structured results

Material identities

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

MaterialCompositionStructure contextSource
ammonium tetrathiomolybdate precursor(NH4)2MoS4Mo in tetrathiomolybdate anionsunknown · UnknownNeedle-like red crystalline precursor used for sodium salt synthesis.2 · Experimental Section, (NH4)2MoS4 synthesis
sodium molybdate air-exposure productNa2MoO4Mounknown · DerivedPXRD product assigned to Na2MoO4 after ambient exposure of dehydrated Na2MoS4.8 · Figure S4 caption · Figure S4
dehydrated sodium tetrathiomolybdate amorphous coordination framework<Na2MoS4>Mo in tetrathiomolybdate units with mixed Mo valenceunknown · PristineAmorphous coordination polymer/framework composed of MoS4 units connected by ionic or coordination bonds and covalent disulfide bonds; single phase not fully confirmed.2 (16580) · Results and Discussion
sodium tetrathiomolybdate hydrateNa2MoS4.3.5H2OMo in tetrathiomolybdate anionsunknown · PristineCrystalline hydrated sodium tetrathiomolybdate matched to JCPDS 00-038-0076.2 (16580) · Results and Discussion · Figure S1

Sample register

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

Show 9 sample records
SampleForm and roleProcessing and geometrySource
(NH4)2MoS4 precursor crystalsresearch_0606__mat__mat_ammonium_tetrathiomolybdatePowder · Unknown · Unknownfiltered, ethanol-washed, vacuum-dried red crystals2 · Experimental Section
<Na2MoS4> cold-pressed pelletresearch_0606__mat__mat_na2mos4_amorphousPellet · Target Sample · Pristine Framework10 mm pellet cold-pressed at 4.5 tons for 30 s under Arcarbon-coated aluminium foils during pressing4 · MIEC testing and analysis
dehydrated <Na2MoS4> powderresearch_0606__mat__mat_na2mos4_amorphousPowder · Target Sample · Pristine Frameworkvacuum-annealed dark amorphous phase6 · Figure S2 caption · Figure S2
Na2MoS4.3.5H2O cold-pressed pelletresearch_0606__mat__mat_na2mos4_hydratePellet · Pristine Control · Pristine Framework10 mm pellet cold-pressed at 4.5 tons for 30 s under Arcarbon-coated aluminium foils during pressing4 · MIEC testing and analysis
as-synthesised Na2MoS4.3.5H2O powderresearch_0606__mat__mat_na2mos4_hydratePowder · Pristine Control · Pristine Frameworkred crystalline hydrated powder6 · Figure S2 caption · Figure S2
<Na2MoS4> in situ XRD composite electrode cellresearch_0606__mat__mat_na2mos4_amorphousElectrode · Composite Sample · Compositecomposite electrode in XRD transmission cell with Li metal counter electrodein-house transmission-mode coin cell14 · Figure S10 caption · Figure S10
<Na2MoS4> Li half-cell electrode with 0 wt % Super Presearch_0606__mat__mat_na2mos4_amorphousElectrode · Target Sample · Pristine Frameworkpressed powder electrode, Li metal counter electrodeCR2032 stainless-steel coin-cell case7 (16585) · Results and Discussion · Figure 6A,B
<Na2MoS4>/Super P Li half-cell electrodesresearch_0606__mat__mat_na2mos4_amorphousElectrode · Composite Sample · Compositehand-ground with 10, 20, or 30 wt % Super P and pressed as composite electrodeCR2032 stainless-steel coin-cell case3 · Electrochemical measurements
<Na2MoS4>/Super P Na half-cell electroderesearch_0606__mat__mat_na2mos4_amorphousElectrode · Composite Sample · Compositecomposite cathode with Na metal counter electrodeCR2032 stainless-steel coin-cell case3 · Electrochemical measurements