Structure–property relationships in multiferroic metal formate frameworks under pressure
نویسندگان
چکیده
منابع مشابه
Metal-organic frameworks: the pressure is on.
Metal-organic frameworks (MOFs) demonstrate a wide variety of behavior in their response to pressure, including anomalous mechanical properties, negative linear compressibility, pressure-induced crystal-to-crystal and crystal-to-amorphous structural transitions. The discovery of framework materials combining novel pressure responses and high mechanical stability is key in the quest for applicat...
متن کاملRole of entropic effects in controlling the polymorphism in formate ABX3 metal-organic frameworks.
Polymorphism in formate-based dense metal-organic frameworks with the general formula ABX3 is predicted by quantum chemical calculations and confirmed experimentally. In particular [NH3NH2]Zn(HCOO)3 crystallizes in two different polymorphs, a perovskite-like framework and a chiral structure with hexagonal channels. A detailed thermodynamic analysis reveals that both structures are very close in...
متن کاملStability of metal-organic frameworks under gamma irradiation.
We report the study of the resistance of archetypal MOFs (MILs, HKUST-1, UiO-66, and ZIF-8) under gamma irradiation. The different porous solids were irradiated with doses up to 1.75 MGy. All the MOFs constructed with transition metals (Cu2+, Zn2+, Zr4+) exhibit an evident destruction of the framework, whereas the compounds constructed with aluminium remain intact.
متن کاملDocking in metal-organic frameworks.
The use of metal-organic frameworks (MOFs) so far has largely relied on nonspecific binding interactions to host small molecular guests. We used long organic struts (approximately 2 nanometers) incorporating 34- and 36-membered macrocyclic polyethers as recognition modules in the construction of several crystalline primitive cubic frameworks that engage in specific binding in a way not observed...
متن کاملDistinguishing Metal–Organic Frameworks
We consider two metal-organic frameworks as identical if they share the same bond network respecting the atom types. An algorithm is presented that decides whether two metal-organic frameworks are the same. It is based on distinguishing structures by comparing a set of descriptors that is obtained from the bond network. We demonstrate our algorithm by analyzing the CoRe MOF database of DFT opti...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Acta Crystallographica Section A Foundations and Advances
سال: 2017
ISSN: 2053-2733
DOI: 10.1107/s2053273317081554