cMOF Evidence Base

Synthesis evidence

Dirac-cone induced metallic conductivity in Cu3(HHTP)2: high-quality MOF thin films fabricated via ML-driven robotic synthesis

Scheiger C., Pohls J.F., Mostaghimi M. et al. · Materials Horizons · 2025 · 6189-6194

2 structured synthesis routes

Completeness describes how fully the route could be reconstructed from the main article and supporting information.

Partial recipeSource: Both

Route 1: Other

p001-p004 / SI Experimental 1.1-1.4 · Fabrication of SURMOFs · Table S1

Metal precursorsCopper(II) acetate monohydrate, best-fitness metal concentration 1.66 mmol L-1
Linker precursors2,3,6,7,10,11-hexahydroxytriphenylene (HHTP), best-fitness linker concentration 0.30 mmol L-1
SolventsPure ethanol for metal salt; water/ethanol mixture for organic linker and rinsing solution; 210 mL solution volumes
AdditivesWater as growth modulator, best-fitness amount 19.23 mL
AtmosphereNitrogen-filled glove box
Temperatureroom temperature deposition; substrate pre-activation at 1000 C for 1 h
Time40 LBL cycles; per cycle metal solution 10 min, rinse 5 min, ultrasonic rinse 31 s, linker solution 15 min, rinse 5 min, ultrasonic rinse 31 s; defect healing 48.71 h
Substrate orientationSiO2/Si from thermally activated silicon wafer, 2 cm x 3 cm
Work-upRinsing after metal and linker steps, with additional ultrasonic rinsing twice in each LBL cycle
ActivationSilicon wafer thermal activation at 1000 C for 1 h followed by oxygen plasma for 30 min immediately before use
Scalability contextIndustrial six-axis dipping robot; 210 mL containers; three substrates mounted per run; ML optimisation via SyCoFinder over 20 parameter sets.
Show 5 structured reagent records
RoleReagentAmount / concentrationSource
Metal SourceCopper (II) acetate monohydrate1.66 mmol L-1 for best-fitness runp001-p004 / SI Experimental 1.1-1.4 · Fabrication of SURMOFs · Table S1
Linker2,3,6,7,10,11-Hexahydroxytriphenylene (HHTP)0.30 mmol L-1 for best-fitness runp001-p004 / SI Experimental 1.1-1.4 · Fabrication of SURMOFs · Table S1
SolventEthanol (AR grade, >=99.8%)solution volumes set at 210 mLp001-p004 / SI Experimental 1.1-1.4 · Fabrication of SURMOFs · Table S1
AdditiveWater as growth modulator19.23 mL for best-fitness runp001-p004 / SI Experimental 1.1-1.4 · Fabrication of SURMOFs · Table S1
OtherSilicon wafer / SiO2/Si substrate2 cm x 3 cm substrates · wafer resistivity 1-5 ohm cm-1p001-p004 / SI Experimental 1.1-1.4 · Fabrication of SURMOFs · Table S1
Partial recipeSource: SI

Route 2: Other

p004 and p007 / SI Tables S1 and S3 · Machine learning approach · Table S1; Table S3

Metal precursorsCopper(II) acetate monohydrate, screened metal concentration 1.2-7.3 mmol L-1
Linker precursorsHHTP, screened linker concentration 0.1-0.3 mmol L-1
SolventsPure ethanol for metal solution; water/ethanol mixture for linker and rinse
AdditivesWater modulator 16.8-21.7 mL
AtmosphereNitrogen-filled glove box
Temperatureroom temperature deposition; substrate activation at 1000 C for 1 h
Time40 cycles; ultrasonication 24-100 s; defect healing 14-50 h
Substrate orientationSiO2/Si substrate
Work-upRinsing and ultrasonically assisted cleaning in each LBL cycle
ActivationOxygen plasma for 30 min immediately before use
Scalability contextFirst generation used ten MaxMin conditions; second generation generated ten further conditions with genetic algorithm operations.
Show 4 structured reagent records
RoleReagentAmount / concentrationSource
Metal SourceCopper (II) acetate monohydrate1.2-7.3 mmol L-1p004 and p007 / SI Tables S1 and S3 · Machine learning approach · Table S1; Table S3
LinkerHHTP0.1-0.3 mmol L-1p004 and p007 / SI Tables S1 and S3 · Machine learning approach · Table S1; Table S3
SolventEthanol and water/ethanol210 mL solution volumesp004 and p007 / SI Tables S1 and S3 · Machine learning approach · Table S1; Table S3
AdditiveWater16.8-21.7 mLp004 and p007 / SI Tables S1 and S3 · Machine learning approach · Table S1; Table S3