Wang J., Guo X., Apostol P. et al. · Energy and Environmental Science · 2022 · 3923-3932
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.
The A2-TM-PTtSA family is an electrically conducting alkali-cation reservoir coordination polymer cathode family for Li-, Na-, and K-ion storage.
Caveat: The CPs are non-porous/poorly crystalline rather than structurally solved porous MOFs.
p001 / article p.3923 · Abstract · Linked to 4 structured results
Li2-Co-PTtSA can be paired with a graphite anode in a proof-of-concept full Li-ion cell delivering about 3 V average output and 86% capacity retention over 200 cycles.
Caveat: Full-cell result is a proof-of-concept and capacity is normalised to Li2-Co-PTtSA active mass.
p008 / article p.3930 · Results and discussion · Figure 6 · Linked to 3 structured results
The quality of PXRD data was insufficient to solve the crystal structures of Li2-Fe-PTtSA and Li2-Co-PTtSA, and disorder or branching coordination modes cannot be excluded.
p003 / article p.3925 · Results and discussion · Figure 1 · Linked to 2 structured results
Co-based CPs show the highest voltage and electronic conductivity among the analysed compositions.
Caveat: Co is noted by the authors as less sustainable than Fe or Mn for battery technology.
p005 / article p.3927 · Results and discussion · Figures 2A and 3A · Linked to 4 structured results
The normal charge-storage mechanism is a reversible two-electron ligand-centred redox with two alkali ions exchanged, not a Co(II/III) redox couple.
Caveat: Extended-window cycling above 4 V can access additional irreversible processes involving high-valence metal centres and electrolyte/anion effects.
p007 / article p.3929 · Results and discussion · Figure 5; Scheme 2 · Linked to 3 structured results
Charge conduction is proposed to proceed preferentially through a through-bond mechanism with electron self-exchange between transition-metal centres and organic linkers, with possible electron hopping.
Caveat: Mechanism is inferred from absence of pi-pi stacking peak, conductivity trends, and DFT DOS, not directly measured by microscopic transport experiments.
p004 / article p.3926 · Results and discussion · Figure 2 · Linked to 4 structured results
Transition-metal incorporation increases electronic conductivity by about two orders of magnitude relative to A4-PTtSA parent alkali salts.
Caveat: A4-PTtSA control data are reproduced from prior work rather than newly generated in this paper.
p004 / article p.3926 · Results and discussion · Figure S7 · Linked to 2 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| A2-TM-PTtSA conductive coordination polymer family | A2-TM-PTtSA, A = Li+, Na+, or K+; TM = Fe2+, Co2+, or Mn2+; PTtSA = benzene-1,2,4,5-tetra-methylsulfonamideDivalent transition-metal centres Fe2+, Co2+, or Mn2+ coordinated to sulfonamide N donors · PTtSA4- = benzene-1,2,4,5-tetra-methylsulfonamide | 1D · PristineProposed one-dimensional coordination polymer extension of the Li2-Co(II)-[o-PDSA]2 model complex; poor crystallinity prevents direct crystal-structure solution. | p002 / article p.3924 · Introduction · Scheme 1 |
| A4-PTtSA alkali-cation parent controls | A4-PTtSA, A = Li+, Na+, or K+none · PTtSA4- alkali salts | 0D · UnknownParent alkali-cation analogues used as conductivity and redox-potential controls; data partly reproduced from reference [1] in the SI. | p016 / SI p.16 · Figure S7 caption · Figure S7 |
| DFT TM-PTtSA one-dimensional chain models | Periodic TM-PTtSA chain models, TM = Co, Fe, or Mn; Q = 0 and Q = -4 charge statesCo, Fe, or Mn sites in periodic one-dimensional chains · PTtSA units | 1D · Model SystemPeriodic boundary condition chain model with two PTtSA units per unit cell, separated laterally by 65 A. | p026 / SI p.26 · DFT Calculation Section · Figure S17 |
| H4-PTtSA ligand precursor | benzene-1,2,4,5-tetrayltetrakis(methylsulfonylamide), protonated formnone · PTtSA4- precursor | 0D · UnknownOrganic ligand precursor used to prepare alkali deprotonated PTtSA salts in situ. | p004 / SI p.4 · Materials and synthesis - 1.2 Synthesis of H4-PTtSA |
| K2-Co-PTtSA | K2-Co-PTtSACo2+ centres · PTtSA4- | 1D · PristineAmorphous or poorly crystalline CP by PXRD. | p005 / SI p.5 · Materials and synthesis - 1.7 Synthesis of K2-Co-PTtSA |
| Li2-Co-PTtSA | Li2-Co-PTtSACo2+ centres · PTtSA4- | 1D · PristinePoorly crystalline/partly ordered CP, proposed isostructural with Li2-Fe-PTtSA and related to the Li2-Co(II)-[o-PDSA]2 model complex. | p003 / article p.3925 · Results and discussion · Figure 1 |
| Li2-Fe-PTtSA | Li2-Fe-PTtSAFe2+ centres · PTtSA4- | 1D · PristinePoorly crystalline CP; reported as isostructural with Li2-Co-PTtSA based on similar PXRD peak positions. | p003 / article p.3925 · Results and discussion · Figure 1 |
| Li2-Mn-PTtSA | Li2-Mn-PTtSAMn2+ centres · PTtSA4- | 1D · PristinePoorly crystalline CP with lower crystallinity/ordering than Li2-Fe-PTtSA and Li2-Co-PTtSA. | p003 / article p.3925 · Results and discussion · Figure 1 |
| Li2-o-Co-PDSA model complex | Li2-Co(II)-[o-PDSA]2Co2+ coordinated by four N centres · o-PDSA = N,N'-(1,2-phenylene)dimethanesulfonamide | 0D · Model SystemSingle-crystal model complex used to infer the local Co and Li coordination environment in A2-TM-PTtSA CPs. | p003 / article p.3925 · Results and discussion · Figure 1C,D |
| Na2-Co-PTtSA | Na2-Co-PTtSACo2+ centres · PTtSA4- | 1D · PristineAmorphous or poorly crystalline CP by PXRD. | p003 / article p.3925 · Results and discussion · Figure 1 |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| Na2-Co-PTtSA and K2-Co-PTtSA half-cell electrode setresearch_0385__mat__a2_tm_pttsa_family | Electrode · Composite Sample · Composite | Na2-Co-PTtSA or K2-Co-PTtSA active materials mixed with Super P and PTFE, tested against Na or K metal.CR2032 positive coin-cell case | p006 / article p.3928 · Figure 4 caption · Figure 4F-H |
| pressed A2-TM-PTtSA pelletsresearch_0385__mat__a2_tm_pttsa_family | Pellet · Target Sample · Pristine Framework | Powder pressed at 384 MPa into 10 mm pellets under protective Ar and encapsulated in Swagelok cells inside an Ar glovebox.carbon-coated aluminium foils used as contacts | p006 / SI p.6 · Electrical conductivity measurements |
| pristine A2-TM-PTtSA powder setresearch_0385__mat__a2_tm_pttsa_family | Powder · Target Sample · Pristine Framework | Desolvated/activated powders after washing and drying at 60 C for 2 h followed by 180 C for 4 h. | p004-p005 / SI pp.4-5 · 1.3-1.7 Synthesis |
| Li4-PTtSA, Na4-PTtSA, and K4-PTtSA parent controlsresearch_0385__mat__a4_pttsa_controls | Unknown · Pristine Control · Pristine Framework | Parent alkali PTtSA analogues used for comparison; control data reproduced from reference [1]. | p016 / SI p.16 · Figure S7 caption · Figure S7 |
| DFT TM-PTtSA chain model setresearch_0385__mat__dft_tm_pttsa_chain_models | Model · Model System · Model | Periodic one-dimensional chain models relaxed with PBEsol in SIESTA. | p026 / SI p.26 · DFT Calculation Section · Figure S17 |
| H4-PTtSA solidresearch_0385__mat__h4_pttsa_ligand | Powder · Pristine Control · Pristine Framework | Precipitated after acidification, washed with 1 M HCl and water, dried under vacuum at 70 C. | p004 / SI p.4 · 1.2 Synthesis of H4-PTtSA |
| pristine K2-Co-PTtSA powderresearch_0385__mat__k2_co_pttsa | Powder · Target Sample · Pristine Framework | Precipitated from K4-PTtSA suspension and CoCl2 methanol solution under inert atmosphere; filtered, washed, and dried at 60 C then 180 C. | p005 / SI p.5 · 1.7 Synthesis of K2-Co-PTtSA |
| Li2-Co-PTtSA half-cell cathode electroderesearch_0385__mat__li2_co_pttsa | Electrode · Composite Sample · Composite | Active material hand-ground with Super P carbon and PTFE binder; electrode loading varied between 5 and 50 mg/cm2.CR2032 positive coin-cell case | p006 / SI p.6 · Half-cell assembly and testing |
| Li2-Co-PTtSA/graphite full cellresearch_0385__mat__li2_co_pttsa | Electrode · Composite Sample · Composite | Li2-Co-PTtSA cathode with graphite anode, glass microfiber separator, and 1 M LiPF6 EC/DMC electrolyte; positive mass loading around 5 mg/cm2.coin cell | p007 / SI p.7 · Li2-Co-PTtSA/graphite full-cell assembly and testing |
| pristine Li2-Co-PTtSA powderresearch_0385__mat__li2_co_pttsa | Powder · Target Sample · Pristine Framework | Precipitated from Li4-PTtSA and CoCl2 methanol solutions under inert atmosphere; filtered, washed, and dried at 60 C then 180 C. | p004 / SI p.4 · 1.3 Synthesis of Li2-Co-PTtSA |
| pristine Li2-Fe-PTtSA powderresearch_0385__mat__li2_fe_pttsa | Powder · Target Sample · Pristine Framework | Precipitated from Li4-PTtSA and FeCl2 methanol solutions under inert atmosphere; filtered, washed, and dried at 60 C then 180 C. | p004 / SI p.4 · 1.4 Synthesis of Li2-Fe-PTtSA |
| pristine Li2-Mn-PTtSA powderresearch_0385__mat__li2_mn_pttsa | Powder · Target Sample · Pristine Framework | Precipitated from Li4-PTtSA and MnCl2 methanol solutions under inert atmosphere; filtered, washed, and dried at 60 C then 180 C. | p005 / SI p.5 · 1.5 Synthesis of Li2-Mn-PTtSA |
| Li2-o-Co-PDSA single crystalresearch_0385__mat__li2_o_co_pdsa_model | Single Crystal · Model System · Model | Crystallised by diffusion of diethyl ether into a methanol solution of Li2-o-Co-PDSA. | p005 / SI p.5 · 1.8 Synthesis of Li2-o-Co-PTtSA |
| Li2-TM-PTtSA Li half-cell electrode setresearch_0385__mat__a2_tm_pttsa_family | Electrode · Composite Sample · Composite | Li2-Fe-PTtSA, Li2-Co-PTtSA, or Li2-Mn-PTtSA active material mixed with Super P and PTFE and tested against Li metal.CR2032 positive coin-cell case | p005 / article p.3927 · Results and discussion · Figure 3A |
| pristine Na2-Co-PTtSA powderresearch_0385__mat__na2_co_pttsa | Powder · Target Sample · Pristine Framework | Precipitated from Na4-PTtSA and CoCl2 methanol solutions under inert atmosphere; filtered, washed, and dried at 60 C then 180 C. | p005 / SI p.5 · 1.6 Synthesis of Na2-Co-PTtSA |