Publications

Journal Article
Petsev ND, L Leal G, M Shell S.  2015.  Hybrid molecular-continuum simulations using smoothed dissipative particle dynamics. The Journal of Chemical Physics. 142:044101.
Butakov NA, Schuller JA.  2015.  Hybrid optical antennas with photonic resistors. Optics Express. 23:29698.
Keh MP, Walter J, Leal LG.  2014.  Hydrodynamic interaction between a capsule and a solid boundary in unbounded Stokes flow. Physics of Fluids (1994-present). 26:111903.
Agarwal V, Metiu H.  2015.  Hydrogen Abstraction Energies and Ammonia Binding to BEA, ZSM-5, and $\alpha$-Quartz Doped with Al, Sc, B, or Ga. The Journal of Physical Chemistry C. 119:16106–16114.
Evans HA, Fabini DH, Andrews JL, Koerner M, Preefer MB, Wu G, Wudl F, Cheetham AK, Seshadri R.  2018.  Hydrogen Bonding Controls the Structural Evolution in Perovskite-Related Hybrid Platinum (IV) Iodides. Inorganic chemistry. 57:10375–10382.
Gordon L, Abu-Farsakh H, Janotti A, Van de Walle CG.  2014.  Hydrogen bonds in Al2O3 as dissipative two-level systems in superconducting qubits. Scientific reports. 4
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.
Oo W.MHlaing, Tabatabaei S., McCluskey M.D, Varley J.B, Janotti A., Van de Walle C.G.  2010.  Hydrogen donors in SnO2 studied by infrared spectroscopy and first-principles calculations. Phys. Rev. B. 82:193201.
Varley J.B, Janotti A., Singh A.K, Van de Walle C.G.  2009.  Hydrogen interactions with acceptor impurities in SnO2: First-principles calculations. Phys. Rev. B. 79:245206.
Varley J.B, Janotti A., Singh A.K, Van de Walle C.G.  2009.  Hydrogen interactions with acceptor impurities in SnO2: First-principles calculations. Phys. Rev. B. 79:245206.
Zhu Z, Peelaers H, Van de Walle CG.  2016.  Hydrogen intercalation in MoS 2. Physical Review B. 94(8):085426.
Janotti A., Van de Walle C.G.  2007.  Hydrogen multicenter bonds. Nature Materials. 6:44-47.
Choi M, Janotti A, Van de Walle CG.  2014.  Hydrogen Passivation of Impurities in Al2O3. ACS applied materials & interfaces. 6:4149–4153.
Varley J.B., Peelaers H., Janotti A., Van de Walle C.G..  2011.  Hydrogenated cation vacancies in semiconducting oxides. J. Phys.: Condens. Matter. 23:334212.
Varley JB, Janotti A, Van de Walle CG.  2014.  Hydrogenated vacancies and hidden hydrogen in SrTiO 3. Physical Review B. 89:075202.
Hoang K, Van de Walle CG.  2009.  Hydrogen-related defects and the role of metal additives in the kinetics of complex hydrides: A first-principles study. Phys. Rev. B. 80:214109.
Peles A., Van de Walle C.G..  2007.  Hydrogen-related defects in sodium alanate. Journal of Alloys and Compounds. Proceedings of the International Symposium on Metal-Hydrogen Systems, Fundamentals and Applications (MH2006):446-447,459-461.
Ganguly P, van der Vegt NFA, Shea J-E.  2016.  Hydrophobic Association in Mixed Urea–TMAO Solutions. Journal of Physical Chemistry Letters. 7(15):3052-3059.
Lyons JL, Krishnaswamy K, Gordon L, Janotti A, Van de Walle CG.  2016.  Identification of microscopic hole-trapping mechanisms in nitride semiconductors. IEEE Electron Device Letters. 37:154–156.
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.
Peelaers H, Krishnaswamy K, Gordon L, Steiauf D, Sarwe A, Janotti A, Van de Walle CG.  2015.  Impact of electric-field dependent dielectric constants on two-dimensional electron gases in complex oxides. Applied Physics Letters. 107:183505.
Lyons JL, Janotti A, Van de Walle CG.  2013.  Impact of Group-II Acceptors on the Electrical and Optical Properties of GaN. J. Appl. Phys.. 52:08JJ04.
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.
Tailor HD, Lyons JL, Dreyer CE, Janotti A, Van de Walle CG.  2016.  Impact of nitrogen and carbon on defect equilibrium in ZrO 2. Acta Materialia. 117:286–292.
Völker B, McMeeking RM.  2012.  Impact of particle size ratio and volume fraction on effective material parameters and performance in solid oxide fuel cells.. Journal of Power Sources. 215:199-215.

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