Computational Modelling — Mutually Noninterfering Flexible Pressure-Temperature Dual-Modal Sensors Based on Conductive Metal-Organic Framework for Electronic Skin

3 measurement groups · 15 results

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

Ni3(HiTP)2 band-structure model under 0 and 300 kPa · Model

band structures of Ni3(HiTP)2 under 0 and 300 kPa; cutoff 500 eV; k-grid 2 x 2 x 1; tolerance 2 x 10^-5 eV

Context: pristine computational MOF model
Measurement source: 482 · Macroscopic FEA Model and Microscopic First-Principles Calculations · Figure 4g-i

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Ni3(HiTP)2 calculated band gap without pressure	0.90 eV	—	—	Figure Axis Exact Reported	479 · Figure 4h
Ni3(HiTP)2 calculated band gap under 300 kPa	0.90 eV	—	—	Figure Axis Exact Reported	479 · Figure 4i
pressure effect on Ni3(HiTP)2 band gap	band structure curves and band gap values remain nearly consistent	—	—	Qualitative Qualitative	480 · Figure 4h-i

MOF-MSMC-5h composite film/sensor · Thin Film

thermal potential distribution under pressure 0 and 300 kPa with 40 K gradient

Context: sensor model
Measurement source: 482 · Macroscopic FEA Model and Microscopic First-Principles Calculations · Figure 4; Table S6

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
FEA unstressed contact von Mises stress	0 Pa at contact part	—	—	Text Exact Reported	479 · Figure 4b,c
FEA thermoelectric potential under 0 and 300 kPa	thermoelectric potential curves almost consistent	—	—	Qualitative Qualitative	480 · Figure 4f

Ni3(HiTP)2 band-structure model under 0 and 300 kPa · Model

thermal conductivity, density, electrical conductivity, modulus, Poisson ratio and thermopower inputs

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
COMSOL Ni3(HiTP)2 modulus input	10 GPa	—	—	SI Table Exact Reported	15 · Table S6
COMSOL PDMS modulus input	0.00075 GPa	—	—	SI Table Exact Reported	15 · Table S6
COMSOL Ni3(HiTP)2 thermopower input	57.1 uV K^-1	—	—	SI Table Exact Reported	15 · Table S6
COMSOL Ni3(HiTP)2 density input	1150 kg m^-3	—	—	SI Table Exact Reported	15 · Table S6
COMSOL electrode thermal conductivity input	400 W m^-1 K^-1	—	—	SI Table Exact Reported	15 · Table S6
COMSOL Ni3(HiTP)2 thermal conductivity input	0.21 W m^-1 K^-1	—	—	SI Table Exact Reported	15 · Table S6
COMSOL PDMS thermal conductivity input	0.16 W m^-1 K^-1	—	—	SI Table Exact Reported	15 · Table S6
COMSOL Ni3(HiTP)2 Poisson ratio input	0.7	—	—	SI Table Exact Reported	15 · Table S6
COMSOL electrode electrical conductivity input	5998 S m^-1	—	—	SI Table Exact Reported	15 · Table S6
COMSOL Ni3(HiTP)2 electrical conductivity input	4000 S m^-1	—	—	SI Table Exact Reported	15 · Table S6