Publications

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Tong H, Umezawa N, Ye J, Ohno T.  2011.  Electronic coupling assembly of semiconductor nanocrystals: self-narrowed band gap to promise solar energy utilization. Energy Environ. Sci. 4:1684.
Rondinelli J.M, Caffrey N.M, Sanvito S., Spaldin N.A.  2008.  Electronic properties of bulk and thin film SrRuO3: a search for the metal-insulator transition. Phys. Rev. B. 78:155107.
Lehner AJ, Wang H, Fabini DH, Liman CD, Hébert C-A, Perry EE, Wang M, Bazan GC, Chabinyc ML, Seshadri R.  2015.  Electronic structure and photovoltaic application of BiI3. Applied Physics Letters. 107:131109.
Miao M.S, Yan Q.M, Van de Walle C.G..  2013.  Electronic structure of a single-layer InN quantum well in a GaN matrix. Appl. Phys. Lett.. 102:102103.
Segev D., Van de Walle C.G.  2006.  Electronic structure of nitride surfaces. Journal of Crystal Growth, First International Symposium on Growth of Nitrides - ISGN-1. 300:199-203.
Chrétien S, Metiu H.  2011.  The electronic structure of the partially reduced rutile TiO2(110) surface: where are the unpaired electrons located? J. Phys. Chem.. 115:4696.
Rondinelli JM, Spaldin NA.  2010.  Electron-lattice instabilities suppress cuprate-like electronic structures in SrFeO3/SrTiO3 superlattices. Phys. Rev. B. 81:85109.
Estrada Z, Gilbert MJ.  2012.  Electron-phonon interactions in double layer graphene superfluids. Illinois Digital Environment for Access to Learning and Scholarship. http://hdl.handle.net/2142/34248
Do TD, Chamas A, Zheng X, Barnes A, Chang D, Veldstra T, Takhar H, Dressler N, Trapp B, Miller K et al..  2015.  Elucidation of the Aggregation Pathways of Helix–Turn–Helix Peptides: Stabilization at the Turn Region Is Critical for Fibril Formation. Biochemistry. 54:4050–4062.
Penev E., Ireta J., Shea J.E..  2008.  Energetics of infinite homopolypeptide chains: a new look at commonly used force fields. J Phys Chem B. 112:6872.
Kioupakis E., Rinke P., Janotti A., Yan Q., Van de Walle C.G..  2013.  Energy Conversion: Solid-State Lighting. Energy Conversion: Solid-State Lighting, in Computational Approaches to Energy Materials (eds A. Walsh, A. A. Sokol and C. R. A. Catlow).
Bechtel JS, Seshadri R, Van der Ven A.  2016.  Energy Landscape of Molecular Motion in Cubic Methylammonium Lead Iodide from First Principles. Journal of Physical Chemistry C. 120(23):12403-12410.
Agarwal V, Metiu H.  2016.  Energy of Oxygen-Vacancy Formation on Oxide Surfaces: Role of the Spatial Distribution. Journal of Physical Chemistry C. 120(4):2320-2323.
Eisenmenger ND, Delaney KT, Ganesan V, Fredrickson GH, Chabinyc ML.  2015.  Energy Transfer Directly to Bilayer Interfaces to Improve Exciton Collection in Organic Photovoltaics. Journal of Physical Chemistry C. 119(33):19011–19021.
Chrétien S., Metiu H..  2008.  Enhanced adsorption energy of Au1 and O2 on the stoichiometric TiO2(110) surface by coadsorption with other molecules. J. Chem. Phys.. 128:44714.
Douglas J.E, Birkel C.S, Miao M.-S., Torbet C.J, Stucky G.D, Pollock T.M, Seshadri R..  2012.  Enhanced thermoelectric properties of bulk TiNiSn via formation of TiNi2Sn secondary phase. Applied Physics Letters. 101(18):183902.
Carmichael SP, M Shell S.  2015.  Entropic (de) stabilization of surface-bound peptides conjugated with polymers. The Journal of Chemical Physics. 143:243103.
Bernard C., Burch T., DeTar C., Gottlieb S., Heller U.M., Hetrick J., Levkova L., Maresca F., Renner D., Sugar R. et al..  2005.  The Equation of State for QCD with 2+1 Flavors of Quarks, The MILC Collaboration. Proceedings of Science. (Lattice 2005):156.
Sun XY, Li B, Metiu H.  2013.  Ethane Activation by Nb-Doped NiO. The Journal of Physical Chemistry C. 117:23597–23608.
Speiser DI, Lampe RI, Lovdahl VR, Carrillo-Zazueta B, Rivera AS, Oakley TH.  2013.  Evasion of Predators Contributes to the Maintenance of Male Eyes in Sexually Dimorphic Euphilomedes ostracods (Crustacea). Integrative and Comparative Biology. (in press)
Schultz D, Gardner K, Oemrawsingh SSR, sević NMarke\v, Olsson K, Debord M, Bouwmeester D, Gwinn E.  2013.  Evidence for Rod-Shaped DNA-Stabilized Silver Nanocluster Emitters. Advanced Materials. in press
Alexandrou MA, Cardinale BJ, Hall JD, Delwiche CF, Fritschie K, Narwani A, Venail PA, Bentlage B, M. Pankey S, Oakley TH.  2015.  Evolutionary relatedness does not predict competition and co-occurrence in natural or experimental communities of green algae. Proceedings of the Royal Society B: Biological Sciences. 282
Siouri FM, Boldissar S, Berenbeim J, De Vries MS.  2017.  Excited State Dynamics of 6-Thioguanine. The Journal of Physical Chemistry A.
Slagle K, You Y-Z, Xu C.  2014.  Exotic Quantum Phase Transitions of (2+1)d Dirac fermions. arXiv:1409.7401 [cond-mat.str-el].
Slagle K, You Y-Z, Xu C.  2015.  Exotic quantum phase transitions of strongly interacting topological insulators. Physical Review B. 91:115121.

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