Fabrication of a Novel Cu Based Conjugated Coordination Polymer for Effective Electroreduction of Nitrate to Ammonia and Zn–Nitrate Batteries

4materials

6samples

4synthesis routes

26measurements

146results

7claims and caveats

Evidence map

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

Electrochemistry Application13 measurements99 results →Spectroscopy5 measurements18 results →Computational Modelling2 measurements12 results →Diffraction Structure3 measurements10 results →Microscopy Morphology2 measurements6 results →Electrical Transport1 measurement1 result →

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

Cu3(HITP)2/CF can act as a Zn-NO3 battery cathode that both produces ammonia and delivers electrical power.

8-9 · Results and Discussions · Figure 6 · Linked to 5 structured results

CaveatSupport assessment: High

The article has apparent naming/formula inconsistencies in isolated passages, including a sentence saying Cu3(HHTP)2/CF achieves 19.9 mg h-1 cm-2 and conclusion mentions of Cu2(HITP)3/CF; extraction follows the dominant title, abstract and results assignment to Cu3(HITP)2/CF.

Caveat: Manual review of original PDF/SI recommended before database integration.

2 and 9 · Introduction; Conclusion · Linked to 1 structured result

Phase AssignmentSupport assessment: High

XAFS/EXAFS supports atomically dispersed Cu sites coordinated by approximately four Cu-N or Cu-O bonds, with no Cu-Cu scattering.

4 · Results and Discussions · Figure 3 · Linked to 3 structured results

Structure Property LinkSupport assessment: High

Cu-N4 coordination in Cu3(HITP)2/CF gives higher NRA activity and selectivity than the Cu-O4 Cu3(HHTP)2/CF analogue.

Caveat: Rendered SI figure pages were available; exact raw data remain unavailable for digitisation beyond visual estimates.

5 · Results and Discussions · Figure 4b,c · Linked to 4 structured results

Structure Property LinkSupport assessment: Medium

The pine-like morphology on copper foam increases active-site exposure and electrochemically active surface area, improving NRA activity relative to powders.

Caveat: ECSA and powder-control details use main-text reported values plus rendered SI visual estimates; raw data are unavailable.

5-6 · Results and Discussions · Figures 4 and S15-S17 · Linked to 4 structured results

Transport MechanismSupport assessment: High

DFT attributes the better Cu-N4 performance to stronger electron transfer to NO3-, stronger NO3 adsorption, lower PDS barrier, and weaker H adsorption that suppresses HER.

Caveat: Detailed DFT pathway images are available in the rendered SI; main text reports the key numerical barriers.

7-8 · Results and Discussions · Figure 5 · Linked to 8 structured results

Transport MechanismSupport assessment: Medium

EIS indicates lower charge-transfer resistance for Cu3(HITP)2/CF than Cu3(HHTP)2/CF, consistent with faster electron transfer through the Cu-N4 coordination environment.

Caveat: No fitted Rct value is reported; evidence is qualitative from text and Figure 4g.

7 · Results and Discussions · Figure 4g · Linked to 1 structured result

Material identities

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

Material	Composition	Structure context	Source
Cu3(HHTP)2 conjugated coordination polymerBrowse family: Cu₃(HHTP)₂ / Cu–HHTP	Cu3(HHTP)2Atomically dispersed Cu sites coordinated by four O atoms; Cu-O4 coordination. · HHTP ligand.	2D · PristineHexagonal layered conjugated coordination polymer with layered stacking; XRD peaks assigned to (100), (200), (210) and (002) planes.	3 · Results and Discussions · Figure 2
Cu-O4 Cu3(HHTP)2 DFT surface modelBrowse family: Cu₃(HHTP)₂ / Cu–HHTP	Cu3(HHTP)2 surface modelCu-O4 active site in a periodic Cu3(HHTP)2 surface. · HHTP-derived conjugated ligand in the model surface.	2D · Model SystemDFT comparison model for NO3 adsorption, PDOS, d-band centre, Gibbs free-energy profiles and hydrogen adsorption.	7-8 · Results and Discussions · Figure 5
Cu3(HITP)2 conjugated coordination polymerBrowse family: Cu₃(HITP)₂ / Cu–HITP	Cu3(HITP)2Atomically dispersed Cu sites coordinated by four N atoms; Cu-N4 coordination. · HITP ligand, introduced as HITP.6HCl in synthesis.	2D · PristineHexagonal layered conjugated coordination polymer with graphene-like layered stacking stabilised by pi-pi interactions; XRD peaks assigned to (100), (200), (210) and (001) planes.	2-3 · Results and Discussions · Figures 1-2
Cu-N4 Cu3(HITP)2 DFT surface modelBrowse family: Cu₃(HITP)₂ / Cu–HITP	Cu3(HITP)2 surface modelCu-N4 active site in a periodic Cu3(HITP)2 surface. · HITP-derived conjugated ligand in the model surface.	2D · Model SystemDFT model used for NO3 adsorption, PDOS, d-band centre, Gibbs free-energy profiles and hydrogen adsorption.	7-8 · Results and Discussions · Figure 5

Sample register

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

Show 6 sample records

Sample	Form and role	Processing and geometry	Source
Cu3(HHTP)2/CF pine-like comparison electroderesearch_0208__mat__mat_cu3_hhtp2	Electrode · Pristine Control · Composite	Prepared similarly to Cu3(HITP)2/CF except using HHTP ligand.Copper foam converted through Cu(OH)2/CF nanorod arrays. · not reported	2 · Results and Discussions · Figure 1 and Figure S2
Cu-O4 Cu3(HHTP)2 DFT modelresearch_0208__mat__mat_cu3_hhtp2_model	Model · Model System · Model	DFT-optimised model surface.not_applicable · periodic surface model	7-8 · Results and Discussions · Figure 5
Cu3(HHTP)2 powderresearch_0208__mat__mat_cu3_hhtp2	Powder · Pristine Control · Pristine Framework	Solution-synthesised powder collected and washed with deionised water and acetone; HHTP used instead of HITP.not_applicable	5 and 9 · Results and Discussions; Experimental Section · Figures S12-S16
Cu3(HITP)2/CF pine-like electroderesearch_0208__mat__mat_cu3_hitp2	Electrode · Target Sample · Composite	In situ grown on copper foam via Cu(OH)2 nanorod template and room-temperature dissolution-reprecipitation with HITP.Copper foam converted through Cu(OH)2/CF nanorod arrays. · not reported	2 · Results and Discussions · Figure 1
Cu-N4 Cu3(HITP)2 DFT modelresearch_0208__mat__mat_cu3_hitp2_model	Model · Model System · Model	DFT-optimised model surface.not_applicable · periodic surface model	7-8 · Results and Discussions · Figure 5
Cu3(HITP)2 powderresearch_0208__mat__mat_cu3_hitp2	Powder · Pristine Control · Pristine Framework	Solution-synthesised powder collected and washed with deionised water and acetone.not_applicable	5 and 9 · Results and Discussions; Experimental Section · Figures S12-S16