Publications

Found 74 results
Author Title [ Type(Desc)] Year
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Book Chapter
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).
Journal Article
Steiauf D, Kioupakis E, Van de Walle CG.  2014.  Auger Recombination in GaAs from First Principles. ACS Photonics. 1:643–646.
Kim HYou, Lee HMo, Pala R.GS, Shapovalov V., Metiu H..  2008.  CO Oxidation by Rutile TiO2(110) Doped with V, W, Cr, Mo, and Mn. J. Phys. Chem. C. 112:12398.
Khanna V., Cochran E.W, Hexemer A., Stein G.E, Fredrickson G.H, Kramer E.J, Hahn S.F, Li X., Wang J..  2006.  Controlling the near surface orientation of block copolymer lamellae and cylinders using chain architecture and surface energy. PMSE Preprints. 95:41äóñ42.
Khanna V., Cochran E.W, Hexemer A., Stein G.E, Fredrickson G.H, Kramer E.J, Hahn S.F, Li X., Wang J..  2006.  Controlling the near surface orientation of block copolymer lamellae and cylinders using chain architecture and surface energy. PMSE Preprints. 95:41äóñ42.
Kahn K., Granovsky A.A, Noga J..  2007.  Convergence of third order correlation energy in atoms and molecules. Journal of Computational Chemistry. 28:547-554.
Bosse A.W, Sides S.W, Katsov K, García-Cervera C.J, Fredrickson G.H.  2006.  Defects and their removal in block copolymer thin film simulations. Journal of polymer science. Part B, Polymer physics. -44:2495.
Weber J.R, Koehl W.F, Varley J.B, Janotti A., Bucley B.B, Van de Walle C.G., Awschalom D.D.  2011.  Defects in SiC for quantum computing. J. Appl. Phys.. 109:102417.
Kioupakis E, Rinke P, Van de Walle CG.  2010.  Determination of Internal Loss in Nitride Lasers from First Principles. Applied Physics Express. 3:82101.
Janotti A, Franchini C, Varley JB, Kresse G, Van de Walle CG.  2013.  Dual behavior of excess electrons in rutile TiO2. physica status solidi (RRL)-Rapid Research Letters. doi: 10.1002/pssr.201206464
Eisenmenger ND, Su GM, Welch GC, Takacs CJ, Bazan GC, Kramera EJ, Chabinyc ML.  2013.  Effect of bridging atom identity on the morphological behavior of solution-processed small molecule bulk heterojunction photovoltaics. Chem. Mater.. (in press)
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.
Klinger D, Wang CX, Connal LA, Audus DJ, Jang SGyu, Kraemer S, Killops KL, Fredrickson GH, Kramer EJ, Hawker CJ.  2014.  A Facile Synthesis of Dynamic, Shape-Changing Polymer Particles. Angewandte Chemie.
Klinger D, Wang CX, Connal LA, Audus DJ, Jang SGyu, Kraemer S, Killops KL, Fredrickson GH, Kramer EJ, Hawker CJ.  2014.  A Facile Synthesis of Dynamic, Shape-Changing Polymer Particles. Angewandte Chemie.
Klinger D, Wang CX, Connal LA, Audus DJ, Jang SGyu, Kraemer S, Killops KL, Fredrickson GH, Kramer EJ, Hawker CJ.  2014.  A Facile Synthesis of Dynamic, Shape-Changing Polymer Particles. Angewandte Chemie. 126:7138–7142.
Klinger D, Wang CX, Connal LA, Audus DJ, Jang SGyu, Kraemer S, Killops KL, Fredrickson GH, Kramer EJ, Hawker CJ.  2014.  A Facile Synthesis of Dynamic, Shape-Changing Polymer Particles. Angewandte Chemie. 126:7138–7142.
Klinger D, Wang CX, Connal LA, Audus DJ, Jang SGyu, Kraemer S, Killops KL, Fredrickson GH, Kramer EJ, Hawker CJ.  2014.  A Facile Synthesis of Dynamic, Shape-Changing Polymer Particles. Angewandte Chemie.
Klinger D, Wang CX, Connal LA, Audus DJ, Jang SGyu, Kraemer S, Killops KL, Fredrickson GH, Kramer EJ, Hawker CJ.  2014.  A Facile Synthesis of Dynamic, Shape-Changing Polymer Particles. Angewandte Chemie.
Klinger D, Wang CX, Connal LA, Audus DJ, Jang SGyu, Kraemer S, Killops KL, Fredrickson GH, Kramer EJ, Hawker CJ.  2014.  A Facile Synthesis of Dynamic, Shape-Changing Polymer Particles. Angewandte Chemie. 126:7138–7142.
Klinger D, Wang CX, Connal LA, Audus DJ, Jang SGyu, Kraemer S, Killops KL, Fredrickson GH, Kramer EJ, Hawker CJ.  2014.  A Facile Synthesis of Dynamic, Shape-Changing Polymer Particles. Angewandte Chemie. 126:7138–7142.
Krishnapriyan A, Barton PT, Miao M, Seshadri R.  2014.  First-principles study of band alignments in the p-type hosts BaM2X2 (M= Cu, Ag; X= S, Se). Journal of Physics: Condensed Matter. 26:155802.
Yan Q, Kioupakis E, Jena D, Van de Walle CG.  2014.  First-principles study of high-field-related electronic behavior of group-III nitrides. Physical Review B. 90:121201.
Kioupakis E, Rinke P, Schleife A, Bechstedt F, Van de Walle CG.  2010.  Free-carrier absorption in nitrides from first principles. Phys. Rev. B. 81:241201.

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