Publications

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Chai L, Tong P, Yang X.  2018.  Frozen Gaussian approximation for 3D seismic tomography. Inverse Problems. 34:055004.
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.
Chavoshi SZare, Xu S.  2018.  Tension-compression asymmetry in plasticity of nanotwinned 3C-SiC nanocrystals. Journal of Applied Physics. 124:095103.
Chavoshi SZare, Xu S.  2018.  Nanoindentation/scratching at finite temperatures: Insights from atomistic-based modeling. Progress in Materials Science.
Chavoshi SZare, Xu S.  2018.  Twinning effects in the single/nanocrystalline cubic silicon carbide subjected to nanoindentation loading. Materialia. 3:304–325.
Chen M-H, Thomas JC, Natarajan ARaju, Van der Ven A.  2016.  Effects of strain on the stability of tetragonal ZrO 2. Physical Review B. 94(5):054108.
Chen H, Zhang L.  2015.  A Desulfonylative Approach in Oxidative Gold Catalysis: Regiospecific Access to Donor-Substituted Acyl Gold Carbenes. Angewandte Chemie. 127:11941–11945.
Chen R, Lee SB, Balents L.  2013.  Dimer Mott Insulator in an Oxide Heterostructure. Phys. Rev. B. 87:161119.
Chen M-H, Puchala B, Van der Ven A.  2015.  High-temperature stability of $δ$′-ZrO. Calphad. 51:292–298.
Chen R., Ju H., Jiang H.C, Starykh O.A, Balents L..  2013.  Ground states of spin-1/2 triangular antiferromagnets in a magnetic field. Phys. Rev. B. (in press)
Chen M-H, Emly A, Van der Ven A.  2015.  Anharmonicity and phase stability of antiperovskite Li 3 OCl. Physical Review B. 91:214306.
Choi M, Lyons JL, Janotti A, Van de Walle CG.  2013.  Impact of carbon and nitrogen impurities in high-k dielectrics on metal-oxide-semiconductor devices. Appl. Phys. Lett. 102:142902.
Choi M, Janotti A, Van de Walle CG.  2013.  Native point defects in LaAlO3 : A hybrid functional study. Phys. Rev. B. 88:214117.
Choi M, Janotti A, Van de Walle CG.  2014.  Hydrogen Passivation of Impurities in Al2O3. ACS applied materials & interfaces. 6:4149–4153.
Choi M, Lyons JL, Janotti A, Van de Walle CG.  2013.  Impact of native defects in high-k dielectric oxides on GaN/oxide metal–oxide–semiconductor devices. physica status solidi (b). 250:787–791.
Choi M, Janotti A, Van de Walle CG.  2013.  Native point defects and dangling bonds in alpha-Al2O3. Journal of Applied Physics. 113(4):44501.
Choudhry U, Yue S, Liao B.  2019.  Coherent Phonon Transport in Two-dimensional Graphene Superstructures. arXiv preprint arXiv:1904.03316.
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.
Choudhury D., Venimadhav A., Kakarla C., Delaney KT.  2010.  Unusual dielectric response in B-site size-disordered hexagonal transition-metal oxides. Appl. Phys. Lett.. 96:162903.
Chrétien S, Metiu H.  2014.  Acid-Base Interaction and Its Role in Alkane Dissociative Chemisorption on Oxide Surfaces. J. Phys. Chem. C. 118:27336-27342.
Chrétien S, Metiu H.  2015.  Hydrogen Dissociative Adsorption on Lanthana: Polaron Formation and the Role of Acid–Base Interactions. The Journal of Physical Chemistry C.
Chrétien S., Buratto S.K, Metiu H..  2008.  Catalysis by very small Au clusters. Current Opinion in Solid State and Materials Science. 11(5-6):62-75.
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.
Chrétien S, Metiu H.  2014.  Oxygen Adsorption on Irreducible Oxides Doped with Higher Valence Ions: O$_2$ Binding to the Dopant. J. Phys. Chem. C. 118:23070-23082.
Chrétien S., Metiu H..  2006.  Density functional study of the CO oxydation on a doped rutile TiO2(110): effects of ionic Au in catalysis. Catal. Lett.. 107:143.

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