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 …

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 …

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 …

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 …

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 …

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 …

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 …

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 …