Computational Modelling — Metal–Organic Frameworks Coordination-Oriented Polymer Dielectrics for Neuromorphic Vision Sensors

Measurement evidence

Computational Modelling

Metal–Organic Frameworks Coordination-Oriented Polymer Dielectrics for Neuromorphic Vision Sensors · Zhu D., Du J., Peng Z. et al. · SmartMat · 2025 · e1322

1 measurement group · 3 results

Reported values remain attached to the sample, method, conditions, extraction quality and source location that produced them.

Forcite module in Materials Studio; Universal force field; QEq charges; Ewald electrostatics and van der Waals; Nose thermostat

PAA and PAA-on-MOF molecular dynamics model systems · Model

Six PAA structural units per chain; six chains; NVT at 273.15 K for 1000 ps with 1 fs time step.

Temperature: 273.15
Geometry: PAA and PAA-on-MOF model systems
Context: PAA model versus PAA-MOF model
Measurement source: 2,4 · Experimental Section; 3.1 · Figure 1E; Supporting Information Figures S4-S5

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
PAA chain conformation in MOF-coordinated model	Coordination of MOF with PAA reduces intra/intermolecular interaction and induces extended PAA chains	—	—	Qualitative Qualitative	4 · 3.1 · Figure 1E; Supporting Information Figures S4-S5
Molecular dynamics simulation temperature	273.15 K	—	—	Text Exact Reported	2 · Experimental Section · Molecular dynamics simulation paragraph
Molecular dynamics total simulation time	1000 ps	—	—	Text Exact Reported	2 · Experimental Section · Molecular dynamics simulation paragraph