Publications

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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.
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.
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.
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).
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.
Esponda I, Vespa E.  2018.  Endogenous sample selection: A laboratory study. Quantitative Economics. 9:183–216.
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.
Sidhu IS, Frischknecht AL, Atzberger PJ.  2018.  Electrostatics of Particle Confinement within Nanochannels: Role of.
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
Rondinelli JM, Spaldin NA.  2010.  Electron-lattice instabilities suppress cuprate-like electronic structures in SrFeO3/SrTiO3 superlattices. Phys. Rev. B. 81:85109.
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.
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.
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.
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.
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.
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.
Zhu Z, Peelaers H, Van de Walle CG.  2017.  Electronic and protonic conduction in LaFeO 3. Journal of Materials Chemistry A.
Miao M-S, Botana J, Zurek E, Hu T, Liu J, Yang W.  2016.  Electron counting and a large family of two-dimensional semiconductors. Chemistry of Materials. 28:1994–1999.
Freysoldt C, Lange B, Neugebauer J, Yan Q, Lyons JL, Janotti A, Van de Walle CG.  2016.  Electron and chemical reservoir corrections for point-defect formation energies. Physical Review B. 93:165206.
Iyer PP, Pendharkar M, Schuller JA.  2016.  Electrically Reconfigurable Metasurfaces Using Heterojunction Resonators. Advanced Optical Materials.
Huang D., Pintus P., Zhang C., Shoji Y., Mizumoto T., Bowers J..  2016.  Electrically Driven and Thermally Tunable Integrated Optical Isolators for Silicon Photonics. IEEE Journal of Selected Topics in Quantum Electronics. 22(6):4403408.
Kang Y, Van de Walle CG.  2017.  Electrical compensation mechanism in fluorine-doped SnO2. Applied Physics Letters. 111:152107.
Peles A., Janotti A., Van de Walle C.G.  2008.  Electrical activity of hydrogen impurities in GaSb: First-principles calculations. Phys. Rev. B. 78:35204.
Choudhury D., Hazarika A., Venimadhav A., Kakarla C., Delaney KT.  2010.  Electric and magnetic polarizabilities of hexagonal Ln2CuTiO6 (Ln=Y, Dy, Ho, Er and Yb). Phys. Rev. B 82, 134203 (2010). 82:134203.
Rajan VP, Shaw JH, Rossol MN, Zok FW.  2014.  An elastic–plastic constitutive model for ceramic composite laminates. Composites Part A: Applied Science and Manufacturing. 66:44–57.

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