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Bandgap Engineering for Photonics and Alternative Energy Characterizing the Electronic Structure of Advanced Materials with Soft X-ray Spectroscopy Calculating the Properties of Materials with ab initio Methods

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1. McLeod, J. A., Z.-W. Wu, P.-F. Shen, B.-Q. Sun, and L. Liu, “Self-Alignment of the Methylammonium Cations in Thin-Film Organometal Perovskites.” The Journal of Physical Chemistry Letters 5: 2863-2867. doi:10.1021/jz501472d. 2. McLeod, J. A., D. W. Boukhvalov, D. A. Zatsepin, R. J. Green, B. Leedahl, L. Cui, E. Z. Kurmaev, I. S. Zhidkov, L. D. Finkelstein, N. V. Gavrilov, S. O. Cholakh, and A. Moewes. 2014. “Local Structure of Fe Impurity Atoms in ZnO: Bulk versus Surface.” The Journal of Physical Chemistry C 118 (10): 5336-5345. doi:10/1021/jp411219z. 3. McLeod, J. A., E. Z. Kurmaev, I. Perez, V. K. Anand, P. Kanchana Perera, D. C. Johnston, and A. Moewes. 2013. “Electronic Structure of Copper Pnictides: Influence of Different Cations and Pnictogens.” Physical Review B 88: 014508. doi:10.1103/PhysRevB.88.014508. 4. McLeod, J. A., A. Moewes, D. A. Zatsepin, E. Z. Kurmaev, A. Wypych, I. Bobowska, A. Opasinska, and S. O. Cholakh. 2012. “Predicting the Band Gap of Ternary Oxides Containing 3d10 and 3d0 Metals.” Physical Review B 86 (19): 195207. doi:10.1103/PhysRevB.86.195207. 5. McLeod, J. A., R. J. Green, E. Z. Kurmaev, N. Kumada, A. A. Belik, and A. Moewes. 2012. “Band-gap Engineering in TiO2-based Ternary Oxides.” Physical Review B 85 (19): 195201. doi:10.1103/PhysRevB.85.195201. 6. McLeod, J. A., N. A. Skorikov, L. D. Finkelstein, E. Z. Kurmaev, and A. Moewes. 2012. “Chemical Bonding and Hybridization in 5p Binary Oxides.” The Journal of Physical Chemistry C 116: 24248–24254. 7. McLeod, J. A., E. Z. Kurmaev, P. V. Sushko, T. D. Boyko, I. A. Levitsky, and A. Moewes. 2012. “Selective Response of Mesoporous Silicon to Adsorbants with Nitro Groups.” Chemistry - A European Journal 18 (10): 2912–2922. doi:10.1002/chem.201102084. 8. McLeod, J. A., A. Buling, R. J. Green, T. D. Boyko, N. A. Skorikov, E. Z. Kurmaev, M. Neumann, et al. 2012. “Effect of 3d Doping on the Electronic Structure of BaFe2As2.” Journal of Physics: Condensed Matter 24 (21): 215501. doi:10.1088/0953-8984/24/21/215501. 9. McLeod, J. A., A. Buling, E. Z. Kurmaev, P. V. Sushko, M. Neumann, L. D. Finkelstein, S.-W. Kim, H. Hosono, and A. Moewes. 2012. “Spectroscopic Characterization of a Multiband Complex Oxide: Insulating and Conducting Cement 12CaO·7Al2O3.” Physical Review B 85 (4): 045204. doi:10.1103/PhysRevB.85.045204. 10. McLeod, J., R. Wilks, N. Skorikov, L. Finkelstein, M. Abu-Samak, E. Kurmaev, and A. Moewes. 2010. “Band Gaps and Electronic Structure of Alkaline-earth and Post-transition-metal Oxides.” Physical Review B 81 (24): 245123. doi:10.1103/PhysRevB.81.245123.

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