Árnadóttir Research Group

G. Zorn, Liu, L. - H., Árnadóttir, L., Wang, H., Gamble, L. J., Castner, D. G., and Yan, M., “X-ray Photoelectron Spectroscopy Investigation of the Nitrogen Species in Photoactive Perfluorophenylazide-Modified Surfaces”, The Journal of Physical Chemistry C, vol. 118, no. 1, pp. 376 - 383, 2014.

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.

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.

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.

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.

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.

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., “Hindered Translator and Hindered Rotor Models for Adsorbates: Partition Functions and EntropiesHindered Translator and Hindered Rotor Models for Adsorbates: Partition Functions and Entropies”, The Journal of Physical Chemistry C, vol. 120, no. 18, pp. 9719 - 9731, 2016.

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.

U. Siemeling, Schirrmacher, C., Glebe, U., Bruhn, C., Baio, J. E., Árnadóttir, L., Castner, D. G., and Weidner, T., “Phthalocyaninato complexes with peripheral alkylthio chains: Disk-like adsorbate species for the vertical anchoring of ligands onto gold surfaces”, Inorganica Chimica Acta, vol. 374, no. 1, pp. 302 - 312, 2011.

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.

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.

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.

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.

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.

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.

Q. Pang, DorMohammadi, H., O. Isgor, B., and Árnadóttir, L., “Thermodynamic feasibility of the four-stage chloride-induced depassivation mechanism of iron”, Nature Partner Journal: Materials Degradation, vol. 4, no. 26, 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.

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.

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. 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.

W. Lew, Crowe, M. C., Karp, E., Lytken, O., Farmer, J. A., Árnadóttir, L., Schoenbaum, C., and Campbell, C. T., “The Energy of Adsorbed Hydroxyl on Pt(111) by Microcalorimetry”, The Journal of Physical Chemistry C, vol. 115, no. 23, pp. 11586 - 11594, 2011.

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.