Publications

Journal Article
Handa S, Lippincott DJ, Aue DH, Lipshutz BH.  2014.  Asymmetric Gold-Catalyzed Lactonizations in Water at Room Temperature. Angewandte Chemie International Edition. 53:10658–10662.
Van de Walle C.G, Pelesa A., Janottia A., Wilson-Shorta G.B..  2008.  Atomic and electronic structure of hydrogen-related centers in hydrogen storage materials. Physica B. Physics of Condensed Matter
Van de Walle CG, Pelesa A., Janottia A., Wilson-Short G.B..  2009.  Atomic and electronic structure of hydrogen-related centers in hydrogen storage materials. Physica B: Condensed Matter. 404(5-7):793.
Johnson JM, Huang H-L, Wang M, Mu S, Varley JB, Bhuiyan AFMAnhar Uddi, Feng Z, Kalarickal NKurian, Rajan S, Zhao H et al..  2021.  Atomic scale investigation of aluminum incorporation, defects, and phase stability in β-(AlxGa1- x) 2O3 films. APL Materials. 9:051103.
Bezzola A., Bales B., Alkire R.C, Petzold L.R.  2013.  Atomic Scale Resolution for Stochastic Simulations of Electrodeposition at the Micrometer Scale. Journal of ECS. (in press)
Kumar A, Kedjar B, Su Y, Thilly L, Beyerlein IJ.  2020.  Atomic-level calculations and experimental study of dislocations in InSb. Journal of Applied Physics. 127:135104.
Yurash B, Leifert D, Reddy GNManjunatha, Cao DXi, Biberger S, Brus VV, Seifrid M, Santiago PJ, Köhler A, Chmelka BF et al..  2019.  Atomic-Level Insight into the Post Synthesis Bandgap Engineering of a Lewis Basic Polymer Using the Lewis Acid Tris (pentafluorophenyl) borane. Chemistry of Materials.
Xu S, Hwang E, Jian W-R, Su Y, Beyerlein IJ.  2020.  Atomistic calculations of the generalized stacking fault energies in two refractory multi-principal element alloys. Intermetallics. 124:106844.
Jun X, Shuozhi X, Beyerlein I.  2019.  Atomistic simulations of dipole tilt wall stability in thin films. Thin Solid Films.
Jian W-R, Zhang M, Xu S, Beyerlein I.  2020.  Atomistic simulations of dynamics of an edge dislocation and its interaction with a void in copper: A comparative study. Modelling and Simulation in Materials Science and Engineering.
Trusty T, Xu S, Beyerlein IJ.  2019.  Atomistic simulations of tungsten nanotubes under uniform tensile loading. Journal of Applied Physics. 126:095105.
Lipshutz BHoward, Slack E, Seupel R, Aue D, Bringmann G.  2019.  Atroposelective Total Synthesis of the Fourfold ortho-Substituted Naphthyltetrahydroisoquinoline Biaryl O, N-Dimethylhamatine. Chemistry–A European Journal.
Steiauf D, Kioupakis E, Van de Walle CG.  2014.  Auger Recombination in GaAs from First Principles. ACS Photonics. 1:643–646.
Alexander GCB, Fabini DH, Seshadri R, Kanatzidis MG.  2018.  AuPb2I7: A Narrow Bandgap Au3+ Iodide Semiconductor. Inorganic chemistry.
Denault KA, Brgoch J, Kloß SD, Gaultois MW, Siewenie J, Page K, Seshadri R.  2015.  Average and Local Structure, Debye Temperature, and Structural Rigidity in Some Oxide Compounds Related to Phosphor Hosts. ACS applied materials & interfaces. 7:7264–7272.
Janotti A, Bjaalie L, Himmetoglu B, Van de Walle CG.  2014.  Band alignment at band-insulator/Mott-insulator interfaces. physica status solidi (RRL)-Rapid Research Letters.
Dreyer CE, Lyons JL, Janotti A, Van de Walle CG.  2014.  Band alignments and polarization properties of BN polymorphs. Applied Physics Express. 7:031001.
Adamski NL, Wickramaratne D, Van de Walle CG.  2020.  Band alignments and polarization properties of the Zn-IV-nitrides. Journal of Materials Chemistry C.
Bjaalie L, Azcatl A, McDonnell S, Freeze CR, Stemmer S, Wallace RM, Van de Walle CG.  2016.  Band alignments between SmTiO3, GdTiO3, and SrTiO3. Journal of Vacuum Science & Technology A. 34:061102.
Moses PGeorg, Van de Walle CG.  2010.  Band bowing and band alignment in InGaN alloys. Appl. Phys. Lett.. 96:21908.
Yan Q, Rinke P, Winkelnkemper M, Qteish A, Bimberg D, Scheffler M, Van de Walle CG.  2011.  Band parameters and strain effects in ZnO and group-III nitrides. Semicond. Sci. Technol.. 26:14037.
Wang H, Zhou T.  2019.  Barrier from chaos: operator entanglement dynamics of the reduced density matrix. Journal of High Energy Physics. 2019:20.
Krishnaswamy K, Bjaalie L, Himmetoglu B, Janotti A, Gordon L, Van de Walle CG.  2016.  BaSnO3 as a channel material in perovskite oxide heterostructures. Applied Physics Letters. 108(8):083501.
Bales B, Petzold L, Goodlet BR, Lenthe WC, Pollock TM.  2018.  Bayesian inference of elastic properties with resonant ultrasound spectroscopy. The Journal of the Acoustical Society of America. 143:71–83.
Das T, Iyer PP, DeCrescent RA, Schuller JA.  2015.  Beam engineering for selective and enhanced coupling to multipolar resonances. Physical Review B. 92:241110.

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