Deng T., Yong X., Shi W. et al. · Advanced Electronic Materials · 2019 · 1800892
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.
Monolayer (NiC4S4)n is predicted to be a good-electron-poor-phonon thermoelectric material, combining high electron mobility, low lattice thermal conductivity and high zT.
Caveat: Prediction is for an ideal computational monolayer; real samples may be degraded by impurities, defects and boundaries.
1 · Abstract · Linked to 4 structured results
Charged impurity scattering can markedly reduce the thermoelectric performance of (NiC4S4)n, making crystallinity important for experimental realisation.
Caveat: Impurity model uses idealised bare Coulomb scattering and effective impurity density.
7 · 2.3 Charge Transport and Thermoelectric Performance · Figure 4 · Linked to 2 structured results
The paper does not report an experimental synthesis of (NiC4S4)n; it relies on first-principles and molecular dynamics modelling.
Caveat: Referenced experimental nickel bis(dithiolene) thin-film studies are literature context and were not extracted as synthesis routes.
2 · Introduction
The microporous, soft and flexible crystal structure of (NiC4S4)n is proposed to enhance phonon scattering and reduce lattice thermal conductivity.
Caveat: Lattice thermal conductivity was simulated, not experimentally measured for (NiC4S4)n in this paper.
2 · Introduction · Linked to 3 structured results
Weak electron-acoustic-phonon coupling in (NiC4S4)n is attributed to cancellation between bonding and antibonding contributions in the conduction-band wavefunction.
Caveat: Mechanistic interpretation derives from deformation-potential-style computational analysis.
4 · 2.2 Electron-Phonon Scattering · Table 1 · Linked to 4 structured results
Names and aliases are kept exactly within the paper’s own identity model.
| Material | Composition | Structure context | Source |
|---|---|---|---|
| monolayer molybdenum disulfide comparator | MoS2Mo in MoS2 lattice | 2D · Model Systemmonolayer transition-metal dichalcogenide comparator | 2 · Introduction |
| 2D single-layer pi-conjugated nickel bis(dithiolene) complexBrowse family: Ni₃(C₆S₆)₂ / Ni–BHT / NiDT | (NiC4S4)nplanar nickel tetrasulfide NiS4 groups · dithiolene / benzenehexathiol-derived pi-conjugated sulfur-carbon network | 2D · Model Systemmonolayer 2D coordination polymer / pi-conjugated nickel bis(dithiolene) nanosheet with microporous crystal structure and Kagome conduction bands | 2 · Introduction |
Sample form, processing state and composition status define the context for measurements.
| Sample | Form and role | Processing and geometry | Source |
|---|---|---|---|
| perfect monolayer MoS2 modelresearch_0734__mat__mat_mos2 | Model · Model System · Model | relaxed computational monolayer comparator0.615 nm effective thickness for converting 2D carrier concentration to 3D density | 5 · 2.3 Charge Transport and Thermoelectric Performance |
| perfect monolayer (NiC4S4)n model nanosheetresearch_0734__mat__mat_nic4s4 | Model · Model System · Model | relaxed computational monolayer; Bernal-stacking bulk used only to derive effective thickness0.32 nm effective thickness for converting 2D carrier concentration to 3D density | 5 · 2.3 Charge Transport and Thermoelectric Performance |