The Materials Project is part of the Materials Genome Initiative that uses high-througput computing to uncover the properties of inorganic materials.
It's possible to search for materials and their properties
It employs high-throughput computation approaches and IT to create a system that can be used to predict properties and construct phase diagrams andPourbaix diagrams.
This "Five slides about" is meant to introduce faculty and/or students to Spectroelectrochemistry (SEC), a technique that is used in inorganic chemistry research and other areas. SEC is a powerful tool to examine species that are normally hard to synthesize and isolate due to instability and high reactivity. Papers with examples of SEC techniques are provided on the last slide.
This suite of activities can be used as a unit exploring the use of small molecule models and biophysical techniques to illuminate complicated biomolecules. The Parent LO: Modeling the FeB center in bacterial Nitric Oxide reductase is a short, data-filled and well-written article that is approachable with an undergraduate's level of understanding.
This 5 slides about will introduce students to the concept of photoinduced electron transfer. These slides go over the energics of photoinduced electron transfer, which implements basic concepts of photochemistry and electrochemistry. The photoinduced electron transer properties of ris-(2,2'-bipyridine)-ruthenium(II) is used as an example.
This five slides about chemical exchange transfer (CEST) discusses the magnetic properties of paramagnetic metal ions and their use as MR imaging agents. This includes tranditional contrast agents that affect the relaxation rate of nearby water protons and paramagnetic shift reagents suitable for CEST imaging applications. A recent redox-active cobalt complex is presented as an innovative agent for mapping redox imbalances in vivo.
Students are asked to read an article detailing the development of a cobalt-based MRI contrast agent ("A Redox-Activated MRI Contrast Agent that Switches Between Paramagnetic and Diamagnetic States", Tsitovich, P. B.; Spernyak, J. A.; Morrow, J. R. Angew. Chem. Int. Ed. 2013, 52, 14247-14250, DOI: 10.1002/anie.201306394). Before coming to class the students are asked to answer a series of questions designed to guide them through the first half of the article, and to be prepared to discuss their answers in class.
This is a 90 minute talk by Fraser Armstrong of Oxford University (http://armstrong.chem.ox.ac.uk) explaining the electrochemistry of proteins immobilized on surfaces. The talk was presented at the 3rd Bioinorganic Workshop in 2014 at Pennsylvania State University. The talk contains an excellent basic tutorial on simple electron transfer on immobilized substrates using simple iron sulfur proteins as the primary example.
In this project students are asked to reproduce published calculations of molecular orbital energies of a series of derivatized fullerenes and correlate them with published reduction and oxidation potentials obtained from cyclic voltammetry. The particular subset of the derivatives to be studied are chosen by the student and this choice is part of the learning activity. The students then carry out additional calculations using other theoretical models to see whether they improve the correlation between computed and experimental properties.
These slides provide a brief introduction to the concept of electrocatalysis using the glyoximato cobalt catalysts for hydrogen production recently examined by Peters, Gray, and others. They provide a suitable introduction to the topic for students interested in reading the primary literature on these topics.
This learning object was developed at the 2012 NSF sponsored cCWCS VIPEr workshop at UNC-CH where we were fortunate to hear Jillian Dempsey present this research that has appeal to students. This work focuses on an exciting and promising strategy to develop new technology to support a solar energy economy. This literature discussion leads students through a current application in the field of electrocatalysis.