cMOF Evidence Base
Computational Modelling — Stacking growth of ionically conductive MOF on biofabrics enables reliable NH3 sensor for hepatic encephalopathy diagnosis

Measurement evidence

Computational Modelling

Stacking growth of ionically conductive MOF on biofabrics enables reliable NH3 sensor for hepatic encephalopathy diagnosis · Liu K., Xu Y., Tian X. et al. · npj Flexible Electronics · 2025 · 67

1 measurement group · 2 results

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

Optimised NH3 adsorption configuration and adsorption energy

Zn-TCPP computational NH3 adsorption model · Model

Computational comparison of NH3 adsorption on Zn-HHTP and Zn-TCPP; computational method details not provided in supplied text.

Geometry
molecular/framework model
Context
model systems
Measurement source
p005 · Sensing mechanism of Zn-TCPP · Figure 5c-d
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
NH3 adsorption energy on Zn-HHTPDeltaE = 0.39 eV——Text
Exact Reported		p005 · Sensing mechanism of Zn-TCPP · Figure 5c
NH3 adsorption energy on Zn-TCPPMarked as a best value within this paperDeltaE = -0.454 eV——Text
Exact Reported		p005 · Sensing mechanism of Zn-TCPP · Figure 5d