cMOF Evidence Base
Diffraction Structure — Ultrathin 2D metal-organic framework nanosheet arrays to boost the overall efficiency of water splitting

Measurement evidence

Diffraction Structure

Ultrathin 2D metal-organic framework nanosheet arrays to boost the overall efficiency of water splitting · Zhang J., Zong S., Xiong G. et al. · International Journal of Hydrogen Energy · 2025 · 95-102

3 measurement groups · 50 results

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

Post-water-splitting SEM/XPS/XRD

X-ray photoelectron spectroscopyX-ray diffraction and scatteringScanning electron microscopy

TIT-1@NS/NF · Electrode

Post-test surface morphology, binding energies and phase integrity checks.

Context
TIT-1@NS/NF after water splitting
Measurement source
101 · 3.4. Fabrication of an asymmetrical two-electrode electrolytic cell for overall water splitting · Fig. 2; Fig. S10; Fig. S11
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
post-test SEM morphology changeno significant alterations——Text
Qualitative		101 · 3.4. Fabrication of an asymmetrical two-electrode electrolytic cell for overall water splitting · Fig. S11
post-test XPS binding energy changealmost no change——Text
Qualitative		101 · 3.4. Fabrication of an asymmetrical two-electrode electrolytic cell for overall water splitting · Fig. S10
phase after water splittingXRD indicated pure phase after water splitting——Text
Qualitative		101 · 3.4. Fabrication of an asymmetrical two-electrode electrolytic cell for overall water splitting · Fig. 2; Fig. S10; Fig. S11

Powder X-ray diffraction

X-ray diffraction and scattering

TIT-1@NS · Nanosheet

PXRD patterns of TIT-1, TIT-1@NS and TIT-1@NS after water splitting; compared with simulated TIT-1.

Context
pristine and nanosheet MOF phase comparison
Measurement source
98 · 3.2. Structural characterization of TIT-1 and TIT-1@NS · Fig. 2
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
PXRD phase matchTIT-1 and TIT-1@NS diffraction patterns aligned with simulated data, confirming pure phase TIT-1——Text
Qualitative		98 · 3.2. Structural characterization of TIT-1 and TIT-1@NS · Fig. 2

Single-crystal X-ray diffraction

X-ray diffraction and scattering

TIT-1 · Powder

Crystal structure determination; crystal data and selected bond lengths/angles reported in rendered SI Table S1 and Table S2.

Context
pristine TIT-1 framework
Measurement source
4 · Table S1/Table S2 · Table S1; Table S2
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
N1-Ni1-N2 bond angle92.0(2) deg——SI Table
Exact Reported		4 · Table S2 · Table S2
N1-Ni1-O1 bond angle92.05(18) deg——SI Table
Exact Reported		4 · Table S2 · Table S2
N1-Ni1-O2 bond angle90.91(17) deg——SI Table
Exact Reported		4 · Table S2 · Table S2
N1-Ni1-O3 bond angle177.20(16) deg——SI Table
Exact Reported		4 · Table S2 · Table S2
N1-Ni1-O5 bond angle85.56(19) deg——SI Table
Exact Reported		4 · Table S2 · Table S2
N2-Ni1-O1 bond angle90.56(19) deg——SI Table
Exact Reported		4 · Table S2 · Table S2
N2-Ni1-O2 bond angle91.14(17) deg——SI Table
Exact Reported		4 · Table S2 · Table S2
N2-Ni1-O3 bond angle88.56(18) deg——SI Table
Exact Reported		4 · Table S2 · Table S2
N2-Ni1-O5 bond angle176.59(15) deg——SI Table
Exact Reported		4 · Table S2 · Table S2
O1-Ni1-O2 bond angle176.54(14) deg——SI Table
Exact Reported		4 · Table S2 · Table S2
O1-Ni1-O3 bond angle85.19(16) deg——SI Table
Exact Reported		4 · Table S2 · Table S2
O1-Ni1-O5 bond angle87.20(18) deg——SI Table
Exact Reported		4 · Table S2 · Table S2
O2-Ni1-O5 bond angle91.23(17) deg——SI Table
Exact Reported		4 · Table S2 · Table S2
O3-Ni1-O2 bond angle91.84(15) deg——SI Table
Exact Reported		4 · Table S2 · Table S2
O3-Ni1-O5 bond angle93.81(17) deg——SI Table
Exact Reported		4 · Table S2 · Table S2
Ni1-N1 bond length2.096(5) A——SI Table
Exact Reported		4 · Table S2 · Table S2
Ni1-N2 bond length2.108(6) A——SI Table
Exact Reported		4 · Table S2 · Table S2
Ni1-O1 bond length2.096(4) A——SI Table
Exact Reported		4 · Table S2 · Table S2
Ni1-O2 bond length2.118(4) A——SI Table
Exact Reported		4 · Table S2 · Table S2
Ni1-O3 bond length2.036(4) A——SI Table
Exact Reported		4 · Table S2 · Table S2
Ni1-O5 bond length2.060(5) A——SI Table
Exact Reported		4 · Table S2 · Table S2
unit-cell a axis10.1668(3) A——SI Table
Exact Reported		4 · Table S1 · Table S1
unit-cell alpha angle89.795(2) deg——SI Table
Exact Reported		4 · Table S1 · Table S1
unit-cell b axis10.6991(4) A——SI Table
Exact Reported		4 · Table S1 · Table S1
unit-cell beta angle88.750(2) deg——SI Table
Exact Reported		4 · Table S1 · Table S1
unit-cell c axis16.7174(4) A——SI Table
Exact Reported		4 · Table S1 · Table S1
CCDC number2343823——SI Table
Exact Reported		4 · Table S1 · Table S1
single-channel dimensions, channel 16.11 x 6.64 A——Text
Exact Reported		98 · 3.1. Structural description of TIT-1 · Fig. 1b-c
single-channel dimensions, channel 23.45 x 9.32 A——Text
Exact Reported		98 · 3.1. Structural description of TIT-1 · Fig. 1b-c
crystal systemTriclinic——SI Table
Exact Reported		4 · Table S1 · Table S1
calculated density1.2304 Mg m-3——SI Table
Exact Reported		4 · Table S1 · Table S1
F(000)651.1——SI Table
Exact Reported		4 · Table S1 · Table S1
crystal formulaC52H40N6Ni2O12——SI Table
Exact Reported		4 · Table S1 · Table S1
formula weight1058.32——SI Table
Exact Reported		4 · Table S1 · Table S1
unit-cell gamma angle75.822(3) deg——SI Table
Exact Reported		4 · Table S1 · Table S1
goodness of fit2.710——SI Table
Exact Reported		4 · Table S1 · Table S1
absorption coefficient mu0.602 mm-1——SI Table
Exact Reported		4 · Table S1 · Table S1
potential porosity after removing free solvents24.4%——Text
Exact Reported		98 · 3.1. Structural description of TIT-1 · Fig. 1
R1 [I > 2sigma(I)]0.1541——SI Table
Exact Reported		4 · Table S1 · Table S1
Rint0.0527——SI Table
Exact Reported		4 · Table S1 · Table S1
space groupP-1——SI Table
Exact Reported		4 · Table S1 · Table S1
space group as written in main textP1——Text
Exact Reported		97 · 3.1. Structural description of TIT-1 · Table S1
topology point symbol4-c with point symbol {4^4.6^2}——Text
Exact Reported		98 · 3.1. Structural description of TIT-1 · Fig. 1d
unit-cell volume1762.63(9) A3——SI Table
Exact Reported		4 · Table S1 · Table S1
wR2 [I > 2sigma(I)]0.387——SI Table
Exact Reported		4 · Table S1 · Table S1
Z value11——SI Table
Exact Reported		4 · Table S1 · Table S1