Beall, Gary W.Goss, Marcus2015-09-232015-09-232015-08Goss, M. (2015). <i>A novel 2-D transition metal cyanide membrane: Modeling, structural, magnetic, and functional characterization</i> (Unpublished dissertation). Texas State University, San Marcos, Texas.https://hdl.handle.net/10877/5784A novel 2-dimensional crystalline material composed of cyanide-bridged metal nanosheets with a square planar framework has been prepared. This material, similar to Hofmann clathrates, has a variety of interesting properties. The material is crystalline and possesses characteristics that include magnetic properties, electronic properties and useful structural features. They have recently been exfoliated into individual crystalline sheets. These sheets show a strong potential for use as ion selective membranes. Performance improvements in water purification and desalination by reverse osmosis methods owing to their single atom thickness is possible. A series of dynamic molecular simulations has provided an understanding of the mechanism for water permeability and salt rejection. Energy profiles for the passage of water and ionic species through the porous areas of these nanosheets have been built and reported. Performance estimates of the efficacy of this novel material for use as an ion selective membrane such as an improved desalination RO membrane are presented. Experiments in synthesis and exfoliation of this class of cyanide-bridged transition metal complex were conducted and the results are presented. A preliminary investigation into the magnetic properties of these materials is included.Text127 pages1 file (.pdf)enTransition metalCyanide-bridged2-D NanomaterialMembrane desalinationMolecular dynamic simulationMagneticNanochemistryCyanidesCrystallographyDissertation