Árnadóttir Research Group

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.

K. Motobayashi, Árnadóttir, L., Matsumoto, C., Stuve, E. M., Jónsson, H., Kim, Y., and Kawai, M., “Adsorption of Water Dimer on Platinum(111): Identification of the −OH···Pt Hydrogen Bond”, ACS Nano, vol. 8, no. 11, pp. 11583 - 11590, 2014.

L. Árnadóttir, Stuve, E. M., and Jónsson, H., “Adsorption of water monomer and clusters on platinum(111) terrace and related steps and kinks”, Surface Science, vol. 604, no. 21-22, pp. 1978 - 1986, 2010.

L. Árnadóttir, Stuve, E. M., and Jónsson, H., “Adsorption of water monomer and clusters on platinum(111) terrace and related steps and kinks II. Surface diffusion”, Surface Science, vol. 606, no. 3-4, pp. 233 - 238, 2012.

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.

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.

O. K. Sarfo, Clauser, A. L., Santala, M. K., and Árnadóttir, L., “On the atomic structure of Pt(1 1 1)/γ-Al2O3(1 1 1) interfaces and the changes in their interfacial energy with temperature and oxygen pressure”, Applied Surface Science, vol. 542, p. 148594, 2021.

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.

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. L. Clauser, K. Sarfo, O., Giulian, R., Ophus, C., Ciston, J., Árnadóttir, L., and Santala, M. K., “Characterization of the atomic-level structure of γ-alumina and (111) Pt/γ-alumina interfaces”, Acta Materialia, vol. 245, p. 118609, 2023.

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.

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., “Density functional theory study of the role of Cl and surface step edges in depassivation of iron passive film”, Corrosion in press, 2020.

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.

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.

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. Árnadóttir, Jo´nsson, H., and Stuve, E. M., “The Effect of Co-adsorbed Water on the Stability and Configuration of Formyl (HCO) and Hydroxymethylidyne (COH) Intermediates on Pt(111): A Density Functional Theory Study”, ECS Transactions, vol. 16, no. 2, pp. 621 - 626, 2008.

L. Árnadóttir, Stuve, E. M., and Jónsson, H., “The effect of coadsorbed water on the stability, configuration and interconversion of formyl (HCO) and hydroxymethylidyne (COH) on platinum (111)”, Chemical Physics Letters, vol. 541, pp. 32 - 38, 2012.

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.

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.

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.

“Effects of co-adsorbed water on different bond cleavages of oxygenates on Pd (111)”, ACS Catalysis, 2021.

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.

B. Adam, Teeter, L., Mahaffey, J., Anderson, M., Árnadóttir, L., and Tucker, J. D., “Effects of Corrosion in Supercritical CO2 on the Microstructural Evolution in 800H Alloy”, Oxidation of Metals, vol. 90, 2018.