2023年5月9日 · We describe the first meltable iron-based zeolitic imidazolate framework (ZIF), denoted MUV-24. This material, elusive from direct synthesis, is obtained from the thermal treatment of [Fe 3 (im) 6 (Him) 2], which yields Fe (im) 2 …

2025年2月15日 · In this study, we investigate the mechanical properties and fracture mechanism of ZIF crystal-glass composites using molecular dynamics simulations based on a recently developed machine learning force field. The composites are made from ZIF-4 or ZIF-zni crystals embedded in a melt-quenched ZIF-4 glass matrix.

We use ab initio density functional theory (DFT) to elucidate the mechanical properties of two topologically distinct zeolitic imidazolate framework (ZIF) materials: ZIF-4 and ZIF-zni, both...

2019年12月1日 · To understand the phase transition and polyamorphic transition in ZIFs, it is crucial to know the nature of the parent crystals. For these two purposes, we perform a systematic study by varying the solvothermal synthesis condition of ZIF-4 (Zn [C3 N 2 H 3] 2) crystals.

2010年5月17日 · We note that ZIF-zni is the densest of all known ZIF structures and is essentially nonporous; density functional calculations also show that it is the most stable of the ZIF topologies. The other structures considered here have substituted imidazolate-type linkers, such as 2-benzimidazolate (bIm) in ZIF-7 and ZIF-9, 2-methylimidazolate (mIm) in ...

2024年1月24日 · We investigate the microscopic mechanism of the thermally induced ambient pressure ordered–disordered phase transitions of two zeolitic imidazolate frameworks of formula Zn(C 3 H 3 N 2) 2: a porous (ZIF-4) and a dense, non-porous (ZIF-zni) polymorph via a combination of data science and

We use ab initio density functional theory (DFT) to elucidate the mechanical properties of two topologically distinct zeolitic imidazolate framework (ZIF) materials: ZIF-4 and ZIF-zni, both of which have the same chemical composition of Zn (Im) 2 [Im = C 3 H 3 N 2−] and are constructed from an identical Zn—Im—Zn basic building block.

近日，德国耶拿大学Alexander Knebel报道了毫米级ZIF-62单晶和厘米级ZIF-32玻璃的可扩展性和可加工性。通过红外微成像技术，随着气体渗透到ZIF晶体和ZIF玻璃中的演变，在ångström尺度上确定了扩散系数和孔结构的变化。

我们研究了两种分子式为 Zn(C 3 H 3 N 2 ) 2的沸石咪唑酯骨架的热致环境压力有序-无序相变的微观机制：多孔 (ZIF-4) 和致密无孔 (ZIF) -zni）通过数据科学和计算机模拟方法相结合的多晶型。

2025年3月7日 · Interestingly, ZIF topologies exhibited a similar trend to several DFT results, where the energy increased as the density decreased, with the most stable zni topology. We proceeded with the assumption that synthesizable ZIFs would likely align closely with real ZIFs and thus calculated a prediction distribution around the linear regression of ...