org in the wild update
2014-02-06 21:45:04 GMT
Mehta, Prateek; Salvador, Paul; Kitchin, John, Identifying Potential BO2 Oxide Polymorphs for Epitaxial Growth Candidates", ACS Applied Materials and Interfaces, accepted 1/27/2014. http://pubs.acs.org/doi/full/10.1021/am4059149.
2. In this SI, there are tables in the embedded org-file that were used for analysis, but not printed in the SI file because they were too long.
Spencer D. Miller, Vladimir V. Pushkarev, Andrew J. Gellman and John R. Kitchin, Simulating Temperature Programmed Desorption of Oxygen on Pt(111) Using DFT Derived Coverage Dependent Desorption Barriers, Topics In Catalysis, 57(1), 106-117 (2013). http://link.springer.com/article/10.1007%2Fs11244-013-0166-3
3. this paper contains the code developed for running these calculations.
Zhongnan Xu and John R Kitchin, Relating the Electronic Structure and Reactivity of the 3d Transition Metal Monoxide Surfaces, Catalysis Communications, Accepted Oct 2013. http://dx.doi.org/10.1016/j.catcom.2013.10.028
4. This paper has embedded Excel sheets in the SI, which contain data used in the paper.
Alex Hallenbeck and John R. Kitchin, Effects of O2 and SO2 on the Capture Capacity of a Primary-Amine Based Polymeric CO2 Sorbent, I&ECR, 52 (31), 10788-10794 (2013). http://dx.doi.org/10.1021/ie400582a.
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