Diffraction Structure — A conductive metal-organic framework photoanode

5 measurement groups · 12 results

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

Zn2TTFTB-FTO · Thin Film

Film measured in fluorescence mode using a four-element Si-drift detector.

Geometry: Zn2TTFTB film on FTO
Context: substrate-supported Zn2TTFTB film
Measurement source: S2 · X-ray Absorption Spectroscopy · Figure 2b-d; Table 1

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Zn2TTFTB-FTO Zn2-O shortest fitted distance	Zn2-O R = 1.93 A; other Zn2-O distances 1.96, 2.02 and 2.31 A	—	uncertainty in R is +/-0.02 A	Table Exact Reported	9595 · Zn2TTFTB structural characterization · Table 1
Zn2TTFTB-FTO Zn1-O shortest fitted distance	Zn1-O R = 2.03 A; other Zn1-O distances 2.09 and 2.13 A	—	uncertainty in R is +/-0.02 A	Table Exact Reported	9595 · Zn2TTFTB structural characterization · Table 1

Zn2TTFTB powder, film-growth conditions · Powder

Powder prepared under film-growth conditions; transmission-mode EXAFS/XANES.

Geometry: thin layer in Kapton tape
Context: pristine powder control under film-growth recipe
Measurement source: 9595 · Zn2TTFTB structural characterization · Figure S2; Table 1

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Film-condition powder Zn2-O shortest fitted distance	Zn2-O R = 1.91 A; other Zn2-O distances 1.94, 1.99 and 2.29 A	—	uncertainty in R is +/-0.02 A	Table Exact Reported	9595 · Zn2TTFTB structural characterization · Table 1
Film-condition powder Zn1-O shortest fitted distance	Zn1-O R = 2.04 A; other Zn1-O distances 2.10 and 2.14 A	—	uncertainty in R is +/-0.02 A	Table Exact Reported	9595 · Zn2TTFTB structural characterization · Table 1

Zn2TTFTB powder, standard synthesis · Powder

Powder measured in transmission mode; Demeter/FEFF6 fitting against Zn1 and Zn2 sites from crystal structure.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Powder Zn2-O shortest fitted distance	Zn2-O R = 1.91 A; other Zn2-O distances 1.94, 2.00 and 2.29 A	—	uncertainty in R is +/-0.02 A	Table Exact Reported	9595 · Zn2TTFTB structural characterization · Table 1
Powder Zn1-O shortest fitted distance	Zn1-O R = 2.03 A; other Zn1-O distances 2.09 and 2.14 A	—	uncertainty in R is +/-0.02 A	Table Exact Reported	9595 · Zn2TTFTB structural characterization · Table 1

Zn2TTFTB-TiO2 photoanode · Electrode

Zn2TTFTB-TiO2 film measured in fluorescence mode; EXAFS compared to powder and Zn2TTFTB-FTO.

Geometry: Zn2TTFTB film on TiO2
Context: MOF-sensitized photoanode
Measurement source: 9595 · Zn2TTFTB structural characterization · Figure 2b-d; Table 1

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Film and powder local-structure equivalence	Observed Zn-O distances are within +/-0.02 A uncertainty between samples	—	+/-0.02 A	Text Exact Reported	9595 · Zn2TTFTB structural characterization · Table 1
Zn2TTFTB-TiO2 Zn2-O shortest fitted distance	Zn2-O R = 1.91 A; other Zn2-O distances 1.94, 2.00 and 2.29 A	—	uncertainty in R is +/-0.02 A	Table Exact Reported	9595 · Zn2TTFTB structural characterization · Table 1
Zn2TTFTB-TiO2 Zn1-O shortest fitted distance	Zn1-O R = 2.03 A; other Zn1-O distances 2.09 and 2.13 A	—	uncertainty in R is +/-0.02 A	Table Exact Reported	9595 · Zn2TTFTB structural characterization · Table 1

Zn2TTFTB-FTO · Thin Film

pXRD of Zn2TTFTB films on FTO, TiO2 and ZrO2 compared with calculated pattern from reported single-crystal structure.

Context: Zn2TTFTB films on substrates; FTO sample used as representative sample_key for multi-substrate pXRD result.
Measurement source: 9594 · Zn2TTFTB structural characterization · Figure 2a; Figure S1

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Zn2TTFTB film pXRD peak	10.2 degrees 2theta	—	—	Text Rounded Reported	9594 · Zn2TTFTB structural characterization · Figure 2a
Zn2TTFTB film pXRD peak	9.3 degrees 2theta	—	—	Text Rounded Reported	9594 · Zn2TTFTB structural characterization · Figure 2a
Zn2TTFTB film phase assignment	pure phase Zn2TTFTB formed on all three substrates	—	—	Text Qualitative	9594 · Zn2TTFTB structural characterization · Figure 2a; Figure S1