Primary studyCore evidenceTransport Physics

Enhancing Near-Infrared Photothermal Performance by Molecular Aggregation Optimization in Semiconductive Coordination Polymers

Yan Y., Li Z.-Y., Qu K.-G. et al. · Inorganic Chemistry · 2024 · 22502-22511

2materials
12samples
4synthesis routes
20measurements
67results
5claims 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: Medium

The NIR photoelectrical responses of compounds 1 and 2 imply potential use in NIR photodetector applications.

Caveat: Demonstrated on pressed pellets under ambient conditions; no optimised device architecture or external quantum efficiency is reported.

22508 · 3.5 Near-Infrared Photoelectrical Response · Figure 7 · Linked to 4 structured results

CaveatSupport assessment: Medium

NIR photodetectors based on coordination polymers are described as relatively rare.

Caveat: This is a literature-context claim, not directly established by new measurements in this paper.

22508 · 3.5 Near-Infrared Photoelectrical Response · Linked to 2 structured results

Structure Property LinkSupport assessment: High

X-aggregation in compound 2 gives more effective pi-pi interactions and higher NIR photothermal conversion efficiency than H-aggregation in compound 1.

Caveat: Comparison is between two different metal/coordination environments as well as different ligand aggregation modes.

22506, 22509 · 3.3; 4 Conclusions · Figures 4-5 · Linked to 4 structured results

Transport MechanismSupport assessment: Medium

The conductive performance is ascribed to synergistic band-like charge transport within crystals and hopping charge transport across grain boundaries.

Caveat: Band-like pathway is computationally inferred; hopping contribution is inferred from pressed-pellet measurement geometry rather than isolated directly.

22508-22509 · 3.4; 4 Conclusions · Figures 6, S14-S17 · Linked to 3 structured results

Transport MechanismSupport assessment: High

Both pristine coordination polymers are semiconductive pressed pellets with conductivities of 2.1e-7 and 3.0e-7 S/cm at 30 C in nitrogen.

Caveat: Pressed-pellet two-contact measurements may be lower than intrinsic single-crystal values because of grain-boundary resistance and anisotropy.

22507 · 3.4 Semiconductive Properties · Figure 6 · Linked to 4 structured results

Material identities

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

MaterialCompositionStructure contextSource
compound 1{[Cd2(ONDI)(ox)].2/3(H2O)}nCd2+ centres; each cadmium cation is 8-fold coordinated · ONDI2- ligand from H2ONDI plus oxalate auxiliary ligand3D · PristineThree-dimensional dense coordination polymer with slip-stacked ONDI2- ligands, unidirectional supramolecular columns, and H-type aggregation.22503-22504 · Introduction; 3.1 Crystal Structure · Figure 1
compound 2[Ba(ONDI)(H2O)2]nBa2+ centres; each barium ion is 10-fold coordinated · ONDI2- ligand from H2ONDI with coordinated water molecules3D · PristineThree-dimensional dense coordination polymer with ONDI2- ligands tightly packed along the c axis, unidirectional pi-pi stacking columns, and X-type aggregation.22503-22504 · Introduction; 3.1 Crystal Structure · Figure 1

Sample register

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

Show 12 sample records
SampleForm and roleProcessing and geometrySource
compound 1 pure bulk product from CdCl2 variantresearch_0498__mat__mat_1_cd_ondi_oxPowder · Target Sample · Pristine FrameworkBulk product obtained by replacing Cd(NO3)2.4H2O with CdCl2.2.5H2O; purity verified by PXRD.22503 · 2.1.1 Synthesis of Compound 1 · Figure S21a
compound 1 brown plate crystalsresearch_0498__mat__mat_1_cd_ondi_oxSingle Crystal · Target Sample · Pristine FrameworkSolvothermal brown plate crystals from the compound 1 synthesis.22503 · 2.1.1 Synthesis of Compound 1
compound 1 computational modelresearch_0498__mat__mat_1_cd_ondi_oxModel · Model System · ModelPi-dimer and periodic crystal models built directly from crystal structure data.22503-22504 · 2.6 Computational Details · Figures 3 and 6
compound 1 thin square pellet for NIR photoelectrical responseresearch_0498__mat__mat_1_cd_ondi_oxPellet · Target Sample · Pristine FrameworkCrystalline powder pressed into a thin square pellet; photocurrent and dark current measured under ambient conditions.5 x 5 x approximately 0.29 mm22503 · 2.5 NIR Photoelectrical Response · Figure 7
compound 1 pressed pellet for NIR photothermal testingresearch_0498__mat__mat_1_cd_ondi_oxPellet · Target Sample · Pristine FrameworkCrystalline powder pressed into a circular pellet with a tablet pressing machine.5 mm diameter; about 20.6 mg22503 · 2.3 Near-Infrared Photothermal Conversion Measurement · Figure 4
compound 1 square pellet for electrical conductivityresearch_0498__mat__mat_1_cd_ondi_oxPellet · Target Sample · Pristine FrameworkCrystalline powder pressed into a square pellet and measured by two-contact method under nitrogen.5 x 5 x 0.30 mm22503 · 2.4 Electrical Conductivity Measurements · Figure 6
compound 2 pure microcrystalline productresearch_0498__mat__mat_2_ba_ondiPowder · Target Sample · Pristine FrameworkMicrocrystalline brown product purified by repeated DMF suspension and brief ultrasonication.22503 · 2.1.3 Synthesis of Microcrystalline 2
compound 2 computational modelresearch_0498__mat__mat_2_ba_ondiModel · Model System · ModelPi-dimer and periodic crystal models built directly from crystal structure data.22503-22504 · 2.6 Computational Details · Figures 3 and 6
compound 2 thin square pellet for NIR photoelectrical responseresearch_0498__mat__mat_2_ba_ondiPellet · Target Sample · Pristine FrameworkCrystalline powder pressed into a thin square pellet; photocurrent and dark current measured under ambient conditions.5 x 5 x approximately 0.26 mm22503 · 2.5 NIR Photoelectrical Response · Figure 7
compound 2 pressed pellet for NIR photothermal testingresearch_0498__mat__mat_2_ba_ondiPellet · Target Sample · Pristine FrameworkCrystalline powder pressed into a circular pellet with a tablet pressing machine.5 mm diameter; about 20.3 mg22503 · 2.3 Near-Infrared Photothermal Conversion Measurement · Figure 5
compound 2 brown single crystalsresearch_0498__mat__mat_2_ba_ondiSingle Crystal · Target Sample · Pristine FrameworkSolvothermal product contained brown crystals of 2 and byproduct crystals.22503 · 2.1.2 Synthesis of Single Crystals of Compound 2
compound 2 square pellet for electrical conductivityresearch_0498__mat__mat_2_ba_ondiPellet · Target Sample · Pristine FrameworkCrystalline powder pressed into a square pellet and measured by two-contact method under nitrogen.5 x 5 x 0.35 mm22503 · 2.4 Electrical Conductivity Measurements · Figure 6