Simulating the structural phase transitions of metal-organic frameworks (MOFs) with control over the volume of nanocrystallites. Flexible metal-organic frameworks (MOFs) can undergo structural transitions with significant pore volume changes upon guest adsorption or other external triggers while maintaining their porosity. In computational studies of this breathing behavior, molecular dynamics (MD) simulations within periodic boundary conditions (PBCs) are commonly performed.
Read More
organic frameworks crossword
Three-dimensional covalent organic frameworks with pto and mhq-z topologies based on Tri- and tetratopic linkers. Three-dimensional (3D) covalent organic frameworks (COFs) possess higher surface areas, more abundant pore channels, and lower density compared to their two-dimensional counterparts which makes the development of 3D COFs interesting from a fundamental and practical point of view.
Read More
covalent organic frameworks design synthesis and functions and Reticular design and crystal structure determination of covalent organic frameworks Reticular chemistry of covalent organic frameworks (COFs) deals with the linking of discrete organic molecular building units into extended structures adopting various topologies by strong covalent bonds.
Read More
