OpenKIM Username: djsiege
OpenKIM User ID: dfa59905-98ff-4499-9d7a-d839b3c3070f
Description of Work —
Materials
Ta, Al-Pb, metal-organic frameworks (MOFs) containing coordinately unsaturated metal sites
Bibliography
A. Landa, P. Wynblatt, D. J. Siegel, J.B. Adams, O.N. Mryasov, and X.Y. Liu, Development of Glue-type Potentials for the Al-Pb System: Phase Diagram Calculation, Acta Mater. 48, 1753 (2000). DOI:10.1016/S1359-6454(00)00002-1
Y. Li, D. J. Siegel, J. B. Adams, X-Y Liu, Embedded-Atom Method Ta Potential Developed by the Force-Matching Method, Phys. Rev. B 67, 125101 (2003). DOI: 10.1103/PhysRevB.67.125101
H. S. Koh, M. K. Rana, A. Wong-Foy and D. J. Siegel, Predicting Methane Storage in Open-Metal-Site MOFs,
J. Phys. Chem. C, 119, 13451 (2015). DOI:10.1021/acs.jpcc.5b02768
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