Publications

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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.
Chang D, Chen M-H, Van der Ven A.  2015.  Factors Contributing to Path Hysteresis of Displacement and Conversion Reactions in Li Ion Batteries. Chemistry of Materials. 27:7593–7600.
Do TD, LaPointe NE, Sangwan S, Teplow DB, Feinstein SC, Sawaya MR, Eisenberg D, Bowers MThomas.  2014.  Factors that Drive Peptide Assembly from Native to Amyloid Structures: Experimental and Theoretical Analysis of [Leu-5]-Enkephalin Mutants. The Journal of Physical Chemistry B.
Li W, Delaney KT, Fredrickson GH.  2016.  Fddd network phase in ABA triblock copolymer melts. Journal of Polymer Science Part B: Polymer Physics. 54:1112–1117.
Ning S-Q, Jiang H-C, Liu Z-X.  2014.  Fermionic Symmetry Protected Topological Phase Induced by Interactions. arXiv preprint arXiv:1412.0092.
Kirchhofer ND, Rengert ZD, Dahlquist FW, Nguyen T-Q, Bazan GC.  2017.  A Ferrocene-Based Conjugated Oligoelectrolyte Catalyzes Bacterial Electrode Respiration. Chem. 2:240–257.
Carbogno C, Levi CG, Van de Walle CG, Scheffler M.  2014.  Ferroelastic switching of doped zirconia: Modeling and understanding from first principles. Physical Review B. 90:144109.
Riggleman R.A, Fredrickson G.H.  2010.  Field-theoretic simulations in the Gibbs ensemble. J. Chem. Phys.. 132:24104.
Krishnaswamy K, Himmetoglu B, Kang Y, Janotti A, Van de Walle CG.  2017.  First-principles analysis of electron transport in BaSnO 3. Physical Review B. 95:205202.
Kioupakis E, Steiauf D, Rinke P, Delaney KT, Van de Walle CG.  2014.  First-principles calculations of indirect Auger recombination in nitride semiconductors. arXiv preprint arXiv:1412.7555.
Lyons JL, Varley JB, Steiauf D, Janotti A, Van de Walle CG.  2017.  First-principles characterization of native-defect-related optical transitions in ZnO. Journal of Applied Physics. 122:035704.
Natarajan ARaju, Van der Ven A.  2017.  First-principles investigation of phase stability in the Mg-Sc binary alloy. Physical Review B. 95:214107.
Wilson-Short G.B., Janottia A., Pelesa A., Van de Walle CG.  2009.  First-principles investigations of F and Cl impurities in NaAlH4. Journal of Alloys and Compounds. 484:247.
Su GM, Patel SN, Pemmaraju CD, Prendergast D, Chabinyc ML.  2017.  First-Principles Predictions of Near-Edge X-ray Absorption Fine Structure Spectra of Semiconducting Polymers. The Journal of Physical Chemistry C. 121:9142–9152.
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.
Krishnaswamy K, Dreyer CE, Janotti A, Van de Walle CG.  2015.  First-principles study of surface charging in LaAlO 3/SrTiO 3 heterostructures. Physical Review B. 92:085420.
Wilson-Short GB, Janotti A, Hoang K, Peles A, Van de Walle CG.  2009.  First-principles study of the formation and migration of native defects in NaAlH4. Phys. Rev. B. 80:224102.
Himmetoglu B, Janotti A, Peelaers H, Alkauskas A, Van de Walle CG.  2014.  First-principles study of the mobility of SrTiO 3. Physical Review B. 90:241204.
Steiauf D, Lyons JL, Janotti A, Van de Walle CG.  2014.  First-principles study of vacancy-assisted impurity diffusion in ZnO. APL Materials. 2:096101.
Lyons JL, Alkauskas A, Janotti A, Van de Walle CG.  2015.  First-principles theory of acceptors in nitride semiconductors. physica status solidi (b). 252:900–908.

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