Árnadóttir Research Group

H. K. K. Nguyen, Addou, R., Chukwu, K. C., Herman, G. S., and Árnadóttir, L., “Ambient-Pressure X-ray Photoelectron Spectroscopy Study of Acetic Acid Thermal Decomposition on Pd(111)Ambient-Pressure Xray Photoelectron Spectroscopy Study of Acetic Acid Thermal Decomposition on Pd(111)”, The Journal of Physical Chemistry C, vol. 127, no. 24, pp. 11472 - 11480, 2023.

E. N. Musa, Kaur, S., Gallagher, T. C., Anthony, T. Mi, Stickle, W. F., Árnadóttir, L., and Stylianou, K. C., “Two Birds, One Stone: Coupling H2 Production with Herbicide Degradation over Metal–Organic Framework-Derived Titanium DioxideTwo Birds, One Stone: Coupling Hydrogen Production with Herbicide Degradation over MetalOrganic Framework-Derived TiO2”, ACS Catalysis, vol. 13, no. 6, pp. 3710 - 3722, 2023.

G. Ruehl, S. Harman, E., Árnadóttir, L., and Campbell, C. T., “Acetonitrile Adsorption and Adhesion Energies onto the Pt(111) Surface by Calorimetry”, ACS Catalysis, pp. 156 - 163, 2022.

P. Murkute, Sarfo, K. Oware, McGieson, I., Santala, M. K., Zhang, Y., Árnadóttir, L., Tucker, J. D., and O. Isgor, B., “Effect of thermal aging on corrosion behavior of duplex stainless steelsAbstract”, SN Applied Sciences, vol. 4, no. 4, 2022.

K. C. Chukwu and Árnadóttir, L., “Effects of Co-adsorbed Water on Different Bond Cleavages of Oxygenates on Pd (111)Effects of Co-adsorbed Water on Different Bond Cleavages of Oxygenates on Pd (111)”, ACS Catalysis, pp. 789 - 798, 2022.

F. Hanifpour, Canales, C. P., Fridriksson, E. G., Sveinbjörnsson, A., Tryggvason, T. K., Yang, J., Arthur, C., Jónsdóttir, S., Garden, A. L., Ólafsson, S., Leósson, K., Árnadóttir, L., Lewin, E., Abghoui, Y., Ingason, Á. S., Magnus, F., Flosadóttir, H. D., and Skúlason, E., “Operando quantification of ammonia produced from computationally-derived transition metal nitride electro-catalysts”, Journal of Catalysis, vol. 413, pp. 956 - 967, 2022.

Q. O. Carvalho, Marks, R., Nguyen, H. K. K., Vitale-Sullivan, M. E., Martinez, S. C., Árnadóttir, L., and Stoerzinger, K. A., “Role of Electronic Structure on Nitrate Reduction to Ammonium: A Periodic Journey”, Journal of the American Chemical Society, vol. 144, no. 32, pp. 14809 - 14818, 2022.

C. Volders, Angelici, V. Avincola, Waluyo, I., Hunt, A., Árnadóttir, L., and Reinke, P., “Unraveling the role of tungsten as a minor alloying element in the oxidation NiCr alloysAbstract”, npj Materials Degradation, vol. 6, no. 1, 2022.

K. Oware Sarfo, Isgor, O. B., Santala, M. K., Tucker, J. D., and Árnadóttir, L., “Bulk Diffusion of Cl through O Vacancies in α-Cr ₂ O ₃ : A Density Functional Theory Study”, Journal of The Electrochemical Society, vol. 168, no. 7, p. 071503, 2021.

A. Theampetch, Prapainainar, C., Tungkamani, S., Narataruksa, P., Sornchamni, T., Árnadóttir, L., and Jovanovic, G. N., “Detailed microkinetic modelling of syngas to hydrocarbons via Fischer Tropsch synthesis over cobalt catalyst”, International Journal of Hydrogen Energy, vol. 46, no. 48, pp. 24721 - 24741, 2021.

K. C. Chukwu and Árnadóttir, L., “Density Functional Theory Study of Decarboxylation and Decarbonylation of Acetic Acid on Pd(111)Density Functional Theory Study of Decarboxylation and Decarbonylation of Acetic Acid on Pd(111)”, The Journal of Physical Chemistry C, vol. 124, no. 24, pp. 13082 - 13093, 2020.

K. Oware Sarfo, Murkute, P., O. Isgor, B., Zhang, Y., Tucker, J., and Árnadóttir, L., “Density Functional Theory Study of the Initial Stages of Cl-Induced Degradation of α-Cr ₂ O ₃ Passive Film”, Journal of The Electrochemical Society, vol. 167, no. 12, p. 121508, 2020.

Q. Pang, DorMohammadi, H., O. Isgor, B., and Árnadóttir, L., “The Effect of Surface Defects on Chloride-Induced Depassivation of Iron—A Density Functional Theory Study”, Corrosion, vol. 76, no. 7, pp. 690 - 697, 2020.

A. L. Clauser, Giulian, R., McClure, Z. D., Sarfo, K. Oware, Ophus, C., Ciston, J., Árnadóttir, L., and Santala, M. K., “Orientation and morphology of Pt nanoparticles in γ-alumina processed via ion implantation and thermal annealing”, Scripta Materialia, vol. 188, pp. 44 - 49, 2020.

T. J. Diulus, Frederick, R. T., Li, M., Hutchison, D. C., Olsen, M. R., Lyubinetsky, I., Árnadóttir, L., Garfunkel, E. L., Nyman, M., Ogasawara, H., and Herman, G. S., “Ambient-Pressure X-ray Photoelectron Spectroscopy Characterization of Radiation-Induced Chemistries of Organotin Clusters”, ACS Applied Materials & Interfaces, vol. 11, no. 2, pp. 2526 - 2534, 2019.

Q. Pang, DorMohammadi, H., O. Isgor, B., and Árnadóttir, L., “The effect of surface vacancies on the interactions of Cl with a α-Fe2O3 (0001) surface and the role of Cl in depassivation”, Corrosion Science, vol. 154, pp. 61 - 69, 2019.

L. H. Sprowl, Árnadóttir, L., and Chan, M. K. Y., “Fluoroethylene Carbonate Breakdown Mechanisms and Energetics on Two Lithium Silicide Surfaces”, The Journal of Physical Chemistry C, vol. 123, no. 44, pp. 26743 - 26751, 2019.

M. Wang, Árnadóttir, L., Xu, Z. J., and Feng, Z., “In Situ X-ray Absorption Spectroscopy Studies of Nanoscale Electrocatalysts”, Nano-Micro Letters, vol. 11, no. 1, 2019.

H. DorMohammadi, Pang, Q., Murkute, P., Árnadóttir, L., and O. Isgor, B., “Investigation of chloride-induced depassivation of iron in alkaline media by reactive force field molecular dynamics”, npj Materials Degradation, vol. 3, no. 1, 2019.

H. DorMohammadi, Pang, Q., Murkute, P., Árnadóttir, L., and O. Isgor, B., “Investigation of iron passivity in highly alkaline media using reactive-force field molecular dynamics”, Corrosion Science, vol. 157, pp. 31 - 40, 2019.

H. DorMohammadi, Pang, Q., Árnadóttir, L., and O. Isgor, B., “Atomistic simulation of initial stages of iron corrosion in pure water using reactive molecular dynamics”, Computational Materials Science, vol. 145, pp. 126 - 133, 2018.

Y. Wang, Lei, F., Freiberg, L., Bagherisereshki, E., Inbamrung, P., Intarasiri, S., Jovanovic, G., Yokochi, A., Árnadóttir, L., and AuYeung, N., “Dry Reforming in a Milli-Scale Reactor Driven by Simulated Sunlight”, ChemEngineering, vol. 2, no. 4, p. 50, 2018.

L. H. Sprowl, Adam, B. M., Tucker, J. D., and Árnadóttir, L., “First-principles study of the products of CO2 dissociation on nickel-based alloys: Trends in energetics with alloying element”, Surface Science, vol. 677, pp. 219 - 231, 2018.

L. H. Sprowl, Campbell, C. T., and Árnadóttir, L., “Correction to “Hindered Translator and Hindered Rotor Models for Adsorbates: Partition Functions and Entropies””, The Journal of Physical Chemistry C, vol. 121, no. 17, pp. 9655 - 9655, 2017.

Q. Pang, DorMohammadi, H., O. Isgor, B., and Árnadóttir, L., “Density functional theory study on the effect of OH and Cl adsorption on the surface structure of α-Fe2O3”, Computational and Theoretical Chemistry, vol. 1100, pp. 91 - 101, 2017.