Primary studyCore evidenceThermoelectric

Controlling Film Formation and Host-Guest Interactions to Enhance the Thermoelectric Properties of Nickel-Nitrogen-Based 2D Conjugated Coordination Polymers

Un H.-I., Lu Y., Li J. et al. · Advanced Materials · 2024 · 2312325

4materials
13samples
5synthesis routes
14measurements
42results
7claims 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: High

The dynamically controlled air-liquid interface synthesis yields record electrical conductivity of 100-200 S cm-1 in Ni-N 2D cCP films and power factors up to 10 uW m-1 K-2 among reported 2D cCP thermoelectrics.

Caveat: Conductivity may be underestimated due to powder contaminants underneath films and occasional micro-cracks.

p008 · Conclusion · Linked to 3 structured results

CaveatSupport assessment: High

Reported conductivities may be underestimated because powder contaminants occur underneath the films and occasional micro-cracks are present.

p003 · Synthesis and Characterizations · Figures S10-S12 · Linked to 2 structured results

Phase AssignmentSupport assessment: High

The films produced by the method are poorly crystalline layered 2D cCPs with broad XRD/GIWAXS pi-pi stacking signatures rather than long-range crystalline frameworks.

Caveat: Chemical bonding is supported by FTIR/Raman, but long-range structural order is weak.

p004 · Synthesis and Characterizations · Figure S14 · Linked to 1 structured result

Structure Property LinkSupport assessment: High

Host-guest interactions with ambient O2/H2O substantially modulate conductivity and Seebeck sign, including carrier-type switching in Ni-HAB and Ni-HATI-H after degassing.

Caveat: Individual Figure 2 bar values are approximate where not text-reported.

p005 · Host-Guest Interaction-Modulated Thermoelectrics · Figure 2 · Linked to 4 structured results

Structure Property LinkSupport assessment: High

DFT indicates O2 interactions are stronger than H2O interactions in Ni-HAB/Ni-HATP, and the Ni-HAB O2-linker complex is especially favourable with large charge transfer.

Caveat: DFT uses molecular model systems rather than periodic film structures.

p006 · Host-Guest Interaction-Modulated Thermoelectrics · Figure 3; Tables S2-S4 · Linked to 3 structured results

Synthesis MechanismSupport assessment: High

High-conductivity films require coordination competition from Ni(acac)2, N2 setup followed by slow air diffusion through a non-airtight cap, and NH4OH rather than NaOAc as base.

Caveat: Detailed optimisation was most extensive for Ni-HAB; HATI linker syntheses were external/literature.

p003 · Synthesis · Linked to 3 structured results

Transport MechanismSupport assessment: High

Ni-HATP transport is grain-boundary-limited and best described by heterogeneous transport through small ordered domains linked by grain boundaries supporting disordered metallic transport plus hopping contributions.

Caveat: Model parameters are fitted; the exact microstructural partitioning is inferred from diffraction/morphology and transport behaviour.

p008 · Transport Mechanism / Conclusion · Figure 4; Table S5 · Linked to 4 structured results

Material identities

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

MaterialCompositionStructure contextSource
Ni-HABBrowse family: Ni₃(HAB)₂ / Ni–HABNi-N coordinated 2D cCP from hexaminobenzene / HABsquare-planar Ni-N coordination units · hexaminobenzene (HAB; used as HAB.3HCl precursor)2D · PristineNi-N-based layered 2D conjugated coordination polymer film; expected chemical bonds confirmed by FTIR/Raman; poorly crystalline with broad XRD peak near 2theta about 30 degrees and GIWAXS pi-pi stacking arc.p003 · Synthesis and Characterizations · Figure 1a
Ni-HATI-HNi-N coordinated 2D cCP from unmethylated hexaiminotriindole / HATI-Hsquare-planar Ni-N coordination units · 2,3,7,8,12,13-hexaiminotriindole hexahydrochloride (HATI-H.6HCl)2D · PristineNi-N-based 2D cCP film; less compact film structure with pinholes; poorly crystalline by XRD/GIWAXS evidence for this film family.p004 · Synthesis and Characterizations · Figure 1a-b
Ni-HATI-MeNi-N coordinated 2D cCP from methylated hexaiminotriindole / HATI-Mesquare-planar Ni-N coordination units · methyl 2,3,7,8,12,13-hexaiminotriindole hexahydrochloride (HATI-Me.6HCl)2D · PristineNi-N-based 2D cCP film; less compact film structure with pinholes; p-type Seebeck response retained under treatments.p004 · Synthesis and Characterizations · Figure 1a-b
Ni-HATPNi-N coordinated 2D cCP from hexaaminotriphenylene / HATPsquare-planar Ni-N coordination units · hexaaminotriphenylene (HATP; HATP.6HCl precursor)2D · PristineNi-N-based layered 2D cCP film; best thermoelectric material in the paper, with weakly temperature-dependent transport and heterogeneous grain-boundary-limited conduction.p004 · Synthesis and Characterizations · Figure 1

Sample register

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

Show 13 sample records
SampleForm and roleProcessing and geometrySource
annealed Ni-HAB filmresearch_0175__mat__mat_ni_habThin Film · Target Sample · Pristine FrameworkAs-synthesised film annealed in N2; main text reports 4pp conductivity after annealing.Corning EAGLE XG glass or Si, depending on measurement · not specified for this samplep003 · Synthesis and Characterizations
as-synthesised Ni-HAB filmresearch_0175__mat__mat_ni_habThin Film · Target Sample · Guest LoadedFilm formed at air-liquid interface and transferred in air; as-synthesised state contains adsorbed oxygen/water.Corning EAGLE XG glass or Si, depending on measurement · not specified for this samplep004 · Host-Guest Interaction-Modulated Thermoelectrics · Figure 2c-e
Ni-HAB DFT modelresearch_0175__mat__mat_ni_habModel · Model System · ModelOptimised molecular model for O2/H2O adsorption and charge-transfer DFT calculations.p018 · Density functional theory calculation · Tables S2 and S4
Ni-HAB film stored in N2 overnightresearch_0175__mat__mat_ni_habThin Film · Target Sample · Pristine FrameworkAs-synthesised film stored in N2 overnight as a degassing treatment.Corning EAGLE XG glass or Si, depending on measurement · not specified for this samplep004 · Figure 2 caption · Figure 2c-e
Ni-HAB synthesis-screening productsresearch_0175__mat__mat_ni_habThin Film · Target Sample · UnknownProducts from SI Table S1 screening of Ni salts, bases, and stoichiometries.transferred to substrates for film measurements where films formed · not specifiedp008 · Synthesis · Table S1
annealed Ni-HATI-H filmresearch_0175__mat__mat_ni_hati_hThin Film · Target Sample · Pristine FrameworkAs-synthesised film annealed at 125 C for 90 min in the environmental-control experiment.Corning EAGLE XG glass or Si, depending on measurement · not specified for this samplep005 · Host-Guest Interaction-Modulated Thermoelectrics · Figure 2d
as-synthesised Ni-HATI-H filmresearch_0175__mat__mat_ni_hati_hThin Film · Target Sample · Guest LoadedAs-synthesised film with ambient adsorbates.Corning EAGLE XG glass or Si, depending on measurement · not specified for this samplep004 · Figure 2 caption · Figure 2c-e
annealed Ni-HATI-Me filmresearch_0175__mat__mat_ni_hati_meThin Film · Target Sample · Pristine FrameworkAs-synthesised film annealed at 125 C for 90 min in the environmental-control experiment.Corning EAGLE XG glass or Si, depending on measurement · not specified for this samplep005 · Host-Guest Interaction-Modulated Thermoelectrics · Figure 2c-e
as-synthesised Ni-HATI-Me filmresearch_0175__mat__mat_ni_hati_meThin Film · Target Sample · Guest LoadedAs-synthesised film with ambient adsorbates.Corning EAGLE XG glass or Si, depending on measurement · not specified for this samplep004 · Host-Guest Interaction-Modulated Thermoelectrics · Figure 2a-d
annealed Ni-HATP filmresearch_0175__mat__mat_ni_hatpThin Film · Target Sample · Pristine FrameworkAs-synthesised Ni-HATP film annealed; temperature-dependent transport measured under high vacuum after annealing until stable.Corning EAGLE XG glass or Linseis chip/Si depending on measurement · not specified for this samplep006 · Transport Mechanism · Figure 4
as-synthesised Ni-HATP filmresearch_0175__mat__mat_ni_hatpThin Film · Target Sample · Guest LoadedFilm formed by the dynamically controlled air-liquid interface synthesis and measured as-synthesised with ambient adsorbates.Corning EAGLE XG glass or Linseis chip/Si depending on measurement · not specified for this samplep004 · Figure 2 caption · Figure 2c-e
Ni-HATP DFT modelresearch_0175__mat__mat_ni_hatpModel · Model System · ModelOptimised molecular model for O2/H2O adsorption and charge-transfer DFT calculations.p018 · Density functional theory calculation · Tables S3 and S4
Ni-HATP film stored in N2 overnightresearch_0175__mat__mat_ni_hatpThin Film · Target Sample · Pristine FrameworkAs-synthesised Ni-HATP film stored in N2 overnight.Corning EAGLE XG glass or Linseis chip/Si depending on measurement · not specified for this samplep004 · Figure 2 caption · Figure 2c-e