Synthesis of millimeter-scale ZIF-8 single crystals and their reversible crystal structure changes

1materials

3samples

1synthesis routes

7measurements

172results

4claims and caveats

Evidence map

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Diffraction Structure3 measurements157 results →Porosity1 measurement7 results →Other1 measurement4 results →Microscopy Morphology1 measurement3 results →Spectroscopy1 measurement1 result →

Author interpretations and caveats

Paraphrased for this database from the authors’ stated interpretations — never quoted verbatim — and kept separate from reported measurements.

Application RelevanceSupport assessment: Medium

The structural flexibility and high porosity of SC-ZIF-8 suggest potential suitability for gas storage applications.

Caveat: No direct gas storage cycling, uptake selectivity, or application-device testing is reported in this paper.

PDF p006 / article p5 · 4. Conclusions · Linked to 4 structured results

Phase AssignmentSupport assessment: High

The product is assigned as high-quality ZIF-8 single crystal based on sharp/intense XRD peaks, match to simulated ZIF-8, and SC-XRD refinement in cubic I-43m.

Caveat: Full CIF was not assigned locally; main text tables provide the extracted crystallographic summary.

PDF p004 / article p3 · Results and discussion · Figure 2(a); Table 1 · Linked to 2 structured results

Structure Property LinkSupport assessment: High

SC-ZIF-8 shows reversible temperature-dependent structural changes: lattice parameter and cell volume increase on heating to 500 K and decrease during cooling, returning toward the as-synthesised state.

Caveat: The 100 K value after cooling, 16.9466(3) Angstrom, is close to but not identical with the initial 100 K value, 16.8941(3) Angstrom.

PDF p006 / article p5 · Results and discussion · Table 1; Table 2 · Linked to 5 structured results

Synthesis MechanismSupport assessment: Medium

A minute quantity of HNO3 is pivotal for SC-ZIF-8 synthesis because acid suppresses 2-methylimidazole deprotonation, limits initial seed formation, and facilitates large single-crystal formation; H2SO4 or HCl did not yield SC-ZIF-8.

Caveat: Mechanistic statement is argued from synthesis observations, not quantified by a kinetic study.

PDF p004 / article p3 · Results and discussion

Material identities

Names and aliases are kept exactly within the paper’s own identity model.

Material	Composition	Structure context	Source
millimetre-scale single-crystal ZIF-8 (SC-ZIF-8)Browse family: ZIF-8 / Zn(mIm)₂	ZIF-8, Zn(2-methylimidazolate)2 framework; SC-XRD table reports C2H2.50NZn0.25 for the refined asymmetric composition with disordered DEF solvent mask.Zn ions / Zn nodes · 2-methylimidazolate / 2-methylimidazole-derived imidazolate linkers	3D · PristineCubic ZIF-8 framework, space group I-43m; XRD pattern matches simulated ZIF-8 pattern (JCPDS 00-062-1030); structure refined as ZIF-8 containing a disordered DEF solvent mask.	PDF p003 / article p2 · Introduction; Results and discussion · Table 1; Figure 2

Sample register

Sample form, processing state and composition status define the context for measurements.

Show 3 sample records

Sample	Form and role	Processing and geometry	Source
SC-ZIF-8 sample activated for N2 adsorptionresearch_0480__mat__sc_zif8	Single Crystal · Target Sample · Pristine Framework	Before N2 adsorption-desorption measurement, samples were treated at 150 degC for 24 h.	PDF p004 / article p3 · 2.3 Characterization
as-synthesised SC-ZIF-8 single crystalsresearch_0480__mat__sc_zif8	Single Crystal · Target Sample · Pristine Framework	Collected by filtration, washed with DMF, then stored in DMF at room temperature until use.	PDF p003 / article p2 · 2.2 Synthesis of SC-ZIF-8; Results and discussion · Figure 1; Figure S1
SC-ZIF-8/KBr FTIR pelletresearch_0480__mat__sc_zif8	Pellet · Target Sample · Composite	SC-ZIF-8 sample mixed with potassium bromide and pressed into pellets for FTIR spectroscopy.	PDF p004 / article p3 · 2.3 Characterization