Publications
Hydrogen Dissociative Adsorption on Lanthana: Polaron Formation and the Role of Acid–Base Interactions. The Journal of Physical Chemistry C.
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2015. Catalysis by very small Au clusters. Current Opinion in Solid State and Materials Science. 11(5-6):62-75.
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2008. Enhanced adsorption energy of Au1 and O2 on the stoichiometric TiO2(110) surface by coadsorption with other molecules. J. Chem. Phys.. 128:44714.
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2008. Oxygen Adsorption on Irreducible Oxides Doped with Higher Valence Ions: O$_2$ Binding to the Dopant. J. Phys. Chem. C. 118:23070-23082.
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2014. 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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2006. O2 evolution on a clean partially reduced rutile TiO2(110) surface and on the same surface precovered with Au1 and Au2: The importance of spin conservation. J. Chem. Phys.. 129:74705.
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2008. Dependence of carrier escape lifetimes on quantum barrier thickness in InGaN/GaN multiple quantum well photodetectors. Optics Express. 28:23796–23805.
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2020. Electric and magnetic polarizabilities of hexagonal Ln2CuTiO6 (Ln=Y, Dy, Ho, Er and Yb). Phys. Rev. B 82, 134203 (2010). 82:134203.
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2010. Unusual dielectric response in B-site size-disordered hexagonal transition-metal oxides. Appl. Phys. Lett.. 96:162903.
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2010. Origins of significant reduction of lattice thermal conductivity in graphene allotropes. Physical Review B. 100:165401.
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2019. Coherent Phonon Transport in Two-dimensional Graphene Superstructures. arXiv preprint arXiv:1904.03316.
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2019. Native point defects and dangling bonds in alpha-Al2O3. Journal of Applied Physics. 113(4):44501.
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2013. Native point defects in LaAlO3 : A hybrid functional study. Phys. Rev. B. 88:214117.
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2013. Impact of carbon and nitrogen impurities in high-k dielectrics on metal-oxide-semiconductor devices. Appl. Phys. Lett. 102:142902.
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2013. Hydrogen Passivation of Impurities in Al2O3. ACS applied materials & interfaces. 6:4149–4153.
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2014. Impact of native defects in high-k dielectric oxides on GaN/oxide metal–oxide–semiconductor devices. physica status solidi (b). 250:787–791.
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2013. Ground states of spin-1/2 triangular antiferromagnets in a magnetic field. Phys. Rev. B. (in press)
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2013. Effects of strain on the stability of tetragonal ZrO 2. Physical Review B. 94(5):054108.
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2016. Quantum chaos dynamics in long-range power law interaction systems. Physical Review B. 100:064305.
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2019. A Desulfonylative Approach in Oxidative Gold Catalysis: Regiospecific Access to Donor-Substituted Acyl Gold Carbenes. Angewandte Chemie. 127:11941–11945.
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2015. High-temperature stability of $δ$′-ZrO. Calphad. 51:292–298.
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2015. Anharmonicity and phase stability of antiperovskite Li 3 OCl. Physical Review B. 91:214306.
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2015. Dimer Mott Insulator in an Oxide Heterostructure. Phys. Rev. B. 87:161119.
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2013. Tension-compression asymmetry in plasticity of nanotwinned 3C-SiC nanocrystals. Journal of Applied Physics. 124:095103.
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2018. Nanoindentation/scratching at finite temperatures: Insights from atomistic-based modeling. Progress in Materials Science.
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2018.