Primary studyCore evidenceThermoelectric

From n- To p-Type Material: Effect of Metal Ion on Charge Transport in Metal-Organic Materials

Yoon S., Talin A.A., Stavila V. et al. · ACS Applied Materials and Interfaces · 2021 · 52055-52062

4materials
13samples
4synthesis routes
20measurements
48results
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

The Pd-HITP analogue is porous and conductive, but it was not considered further because its stoichiometry differed from expected M3(HITP)2.

Caveat: Pd-HITP transport and porosity data are first-hand SI results, but the main article explicitly treats the composition as incorrect.

p003 · Results · Linked to 5 structured results

Phase AssignmentSupport assessment: High

a-Pt-HITP is amorphous by PXRD but has local coordination and linker structure similar to Ni-HITP.

Caveat: Long-range crystallinity is absent; assignment is based on local probes and spectroscopy.

p005 · Conclusions · Linked to 5 structured results

Structure Property LinkSupport assessment: Medium

Hydrated chloride between layers is proposed to contribute to disorder and structural changes in M-HITP analogues.

Caveat: Mechanistic assignment is partly inferential; conductivity in the chloride series shows no clear trend.

p005 · Discussion · Figure S9; Table S3 · Linked to 5 structured results

Structure Property LinkSupport assessment: High

DFT-optimised lattice constants increase from Ni to Pd to Pt, consistent with increasing metal ionic radius.

Caveat: Computed values are for ideal monolayer M3(HITP)2 models; experimental Pd product is nonstoichiometric.

p010 · Ab initio quantum mechanics calculations · Linked to 3 structured results

Structure Property LinkSupport assessment: High

The porous amorphous a-Pt-HITP material remains electronically conducting and shows p-type thermoelectric response.

Caveat: BET surface area is lower than prior Ni-HITP reports, attributed to possible residual solvent in pores.

p005 · Discussion · Linked to 5 structured results

Transport MechanismSupport assessment: High

Changing the metal ion from Ni to Pt switches the majority carrier from n-type to p-type without conventional redox doping.

Caveat: Pt material is amorphous and contains residual hydrated chloride/water, but authors explicitly distinguish this from intentional dopant introduction.

p005 · Conclusions · Linked to 4 structured results

Material identities

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

MaterialCompositionStructure contextSource
a-Pd-HITPPd-HITP analogue; nonstoichiometric by EDX and elemental analysisPd centres in an attempted M-HITP analogue. · HITP = 2,3,6,7,10,11-hexaiminotriphenylene.2D · PristineAmorphous material with incorrect stoichiometry relative to M3(HITP)2; still reported as porous and conducting.p003 · Results · Figures S2, S4, S6, S7; Tables S1-S2
a-Pt-HITPPt3(C18H12N6)2.2Cl1.7*5(H2O)Pt(II) centres substituted into the M-HITP coordination environment. · HITP = 2,3,6,7,10,11-hexaiminotriphenylene.2D · PristineAmorphous by PXRD but locally Ni-HITP-like by PDF, Raman, XPS, and SEM; porous after desolvation.p001 · Abstract
HATP*6HCl linker precursor2,3,6,7,10,11-hexaaminotriphenylene hexahydrochlorideHATP*6HCl precursor to HITP framework linkers.0D · UnknownMolecular linker precursor prepared through bromination, Pd/BINAP amination, and acid deprotection.p001 · Table of Contents · Scheme S1
Ni-HITPBrowse family: Ni₃(HITP)₂ / Ni–HITPNi3(HITP)2; reported analytical approximation Ni3(C18H12N6)1.8Cl0.6*4(H2O)Nickel ions in a metal-organic graphene analogue coordination environment. · HITP = 2,3,6,7,10,11-hexaiminotriphenylene.2D · PristineCrystalline layered metal-organic graphene analogue; used as the Ni control for metal substitution.p001 · Abstract

Sample register

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

Show 13 sample records
SampleForm and roleProcessing and geometrySource
a-Pd-HITP powderresearch_0138__mat__mat_a_pd_hitpPowder · Target Sample · UnknownClumpy black powder prepared from HATP*6HCl and K2PdCl6.p003 · a-Pd-HITP powder
Pd-HITP transport sampleresearch_0138__mat__mat_a_pd_hitpPellet · Target Sample · UnknownRoom-temperature conductivity and Seebeck sample; pellet preparation details not repeated in SI.p008 · PXRD, Isotherm, & Conductivity Data · Table S4
a-Pt-HITP pressed pelletresearch_0138__mat__mat_a_pt_hitpPellet · Target Sample · Pristine FrameworkPressed pellet using 5 tons force and thin copper sheets as contacts.0.3-0.7 mmp003 · Electrical conductivity
a-Pt-HITP powderresearch_0138__mat__mat_a_pt_hitpPowder · Target Sample · Pristine FrameworkClumpy black powder after aqueous synthesis, gas bubbling, washing, pore clearing, and vacuum activation.p002 · Syntheses
HATP*6HCl linker precursorresearch_0138__mat__mat_hATP_6hclPowder · Paper Level Unspecified · UnknownYellow-beige solid dried under vacuum after acid deprotection.p003 · HATP*6HCl
DFT model Ni3(HITP)2research_0138__mat__mat_ni_hitpModel · Model System · ModelMonolayer hexagonal M-HITP model generated from experimental Ni-HITP structure.p009 · Ab initio quantum mechanics calculations
DFT model Pd3(HITP)2research_0138__mat__mat_a_pd_hitpModel · Model System · ModelMonolayer hexagonal Pd3(HITP)2 model.p010 · Ab initio quantum mechanics calculations
DFT model Pt3(HITP)2research_0138__mat__mat_a_pt_hitpModel · Model System · ModelMonolayer hexagonal Pt3(HITP)2 model.p010 · Ab initio quantum mechanics calculations
Ni-HITP modified with 1.5:1 Cl/Niresearch_0138__mat__mat_ni_hitpPellet · Paper Level Unspecified · Guest LoadedNi-HITP prepared with added chloride precursor; conductivity sample.p007 · PXRD, Isotherm, & Conductivity Data · Table S3
Ni-HITP modified with 3:1 Cl/Niresearch_0138__mat__mat_ni_hitpPellet · Paper Level Unspecified · Guest LoadedNi-HITP prepared with added chloride precursor; conductivity sample.p007 · PXRD, Isotherm, & Conductivity Data · Table S3
Ni-HITP modified with 4.5:1 Cl/Niresearch_0138__mat__mat_ni_hitpPellet · Paper Level Unspecified · Guest LoadedNi-HITP prepared with added chloride precursor; conductivity sample.p007 · PXRD, Isotherm, & Conductivity Data · Table S3
Ni-HITP pressed pelletresearch_0138__mat__mat_ni_hitpPellet · Pristine Control · Pristine FrameworkPressed pellet using 5 tons force and thin copper sheets as contacts.0.3-0.7 mmp003 · Electrical conductivity
Ni-HITP powderresearch_0138__mat__mat_ni_hitpPowder · Pristine Control · Pristine FrameworkClumpy black powder washed with water, ethanol, and acetone and dried under nitrogen.p002 · Syntheses