46. Arielle L. Clauser, Kofi Oware Sarfo, Raquel Giulian, Colin Ophs, Jim Ciston, Líney Árnadóttir, Melissa K. Santala, Characterization of the Atomic-Level Structure of γ-Alumina and (111) Pt/γ-Alumina Interfaces, Acta Materialia 245 (2023), 118609 https://doi.org/10.1016/j.actamat.2022.118609

45. Emmanuel Musa Nyela, Sumandeep Kaur, Makenzie Nord, Trenton Gallagher, Thao Mi Anthony, William Stickle, Líney Árnadóttir, Kyriakos Stylianou, Two Birds, One Stone: Coupling Hydrogen Production with Herbicide Degradation over Metal-organic Framework-derived Titanium Dioxide, ACS Catalysis 2023, 13, 6, 3710–3722, https://doi.org/10.1021/acscatal.3c00265

44. Hoan KK. Nguyen, Rafik Addou, Kingsley C. Chukwu, Gregory S. Herman, and Líney Árnadóttir, Ambient-pressure X-ray photoelectron spectroscopy study of acetic acid thermal decomposition on Pd (111), Journal of Physical Chemistry C 2023, 127, 24, 11472–11480, https://doi.org/10.1021/acs.jpcc.2c05539

43. Fatemeh Hanifpour, Camila P. Canales, Emil G. Fridriksson, Arnar Sveinbjörnsson, Tryggvi K. Tryggvason, Jian Yang, Connel Arthur, Sigríður Jónsdóttir, Anna L. Garden, Sveinn Ólafsson, Kristján Leósson, Líney Árnadóttir, Erik Lewin, Younes Abghoui, Árni S. Ingason, Fridrik Magnus, Helga D. Flosadóttir, and Egill Skúlason, Operando quantification of ammonia produced from computationally-derived transition metal nitride electro-catalysts, Journal of Catalysis 413 (2022) 956-967 https://doi.org/10.1016/j.jcat.2022.07.030

42. O. Quinn Carvalho; Rylee Marks; Hoan K.K. Nguyen; Molly Vitale-Sullivan; Selena Martinez; Liney Arnadottir; Kelsey Stoerzinger Role of electronic structure on nitrate reduction to ammonium: a periodic journey, Journal of the American Chemical Society, 2022, 144, 32, 14809-14818 https://doi.org/10.1021/jacs.2c05673

41. Cameron Volders, Valentina Avincola Angelici, Iradwikanari Waluyo, Adrian Hunt, Líney Árnadóttir, and Petra Reinke, Unraveling the role of tungsten as a minor alloying element in the oxidation NiCr alloys, Nature Partner Journal: Materials Degradation, 6, 52 (2022). https://doi.org/10.1038/s41529-022-00265-x

40. Griffin Ruehl, S. Eliabeth Harman, Líney Árnadóttir, and Charles T. Campbell, Acetonitrile Adsorption and Adhesion Energies onto the Pt(111) Surface by Calorimetry, ACS Catalysis, 2022, 12, 1, 156–163 https://doi.org/10.1021/acscatal.1c04622

39. Kingsley C. Chukwu and Líney Árnadóttir Effects of co-adsorbed water on different bond cleavages of oxygenates on Pd (111), ACS Catalysis 2022, 12, 1, 789–798 https://doi.org/10.1021/acscatal.1c03764

38. Pratik Murkute, Kofi Oware Sarfo, Isak McGieson, Melissa K. Santala, Yong Feng Zhang, Líney Árnadóttir, Julie D. Tucker, and O. Burkan Isgor, Effect of thermal aging on corrosion behavior of duplex stainless steels, SN Applied Sciences, 2022, 4:97 https://doi.org/10.1007/s42452-022-04978-1

37. Kofi Oware Sarfo, O. Burkan Isgor, Melissa K. Santala, Julie D. Tucker and Líney Árnadóttir, Bulk Diffusion of Cl through O vacancies in a-Cr2O3: a density functional theory study, Journal of Electrochemical Society, 2021, 168, 7, 071503 https://doi.org/10.1016/j.apsusc.2020.148594

36. Kofi Oware Sarfo, Arielle L. Clauser, Melissa K. Santala and Líney Árnadóttir, On the atomic structure of Pt(111)/gamma-Al2O3(111) interfaces and the changes in their interfacial energy with temperature and oxygen pressure, Applied Surface Science, 2021, 542, 148594 https://doi.org/10.1016/j.apsusc.2020.148594

35. Kofi Oware Sarfo, Pratik Murkute, O. Burkan Isgor, Yongfeng Zhang, Julie Tucker and Líney Árnadóttir, Density functional theory study of the initial stages of Cl-induced degradation of alpha-Cr2O3 passive film, Journal of Electrochemical Society, 2020, 167, 12, 121508 https://doi.org/10.1149/1945-7111/abb381

34. Arielle L. Clauser, Raquel Giulian, Zachary D. McClure, Kofi Oware Sarfo, Colin Ophus, Jim Ciston,  Líney Árnadóttir and Melissa K. Santala, Orientation and morphology of Pt nanoparticles in <gamma>-alumina processed via ion implantation and thermal annealing, Scripta Materialia, 2020, 188, 44-49 https://doi.org/10.1016/j.scriptamat.2020.06.058

33. Paper Highlighted as Science Success on XSEDE: Qin Pang, Hossein DorMohammadi, O. Burkan Isgor, Líney Árnadóttir, Thermodynamic feasibility of the four-stage chloride-induced depassivation mechnaims of iron - a density functional theory study, Nature Partner Journal: Materials Degradation, 2020, 4 (26) https://doi.org/10.1038/s41529-020-00131-8 

32. Kingsley C. Chukwu and Líney Árnadóttir, Density Functional Theory study of decarboxylation and decarbonylation of acetic acid on Pd (111), The Journal of Physical Chemistry C, 2020, 124, 13082-13093 https://doi.org/10.1021/acs.jpcc.0c00436

31. Qin Pang, Hossein DorMohammadi, O. Burkan Isgor, Líney Árnadóttir, Density functional theory study of the role of Cl and surface step edges in depassivation of iron passive film, Corrosion, 2020, 76 (7) https://doi.org/10.5006/3501

30. Apichaya Theampetch, Chaiwat Prapainainar, Sabaithip Tungkamani, Phavanee Narataruksa, Thana Sornchamni, Líney Árnadóttir, Goran N. Jovanovic, Detailed microkinetic modelling of syngas to hydrocarbons via  Fischer Tropsch synthesis over cobalt catalyst, International Journal of Hydrogen Energy, 2021, 46 (48) p.24721-24741 https://doi.org/10.1016/j.ijhydene.2020.03.135

29. Lynza H. Sprowl, Líney Árnadóttir*, Maria K.Y. Chan*, Fluoroethylene Carbonate Breakdown Mechanisms and Energetics on Two Lithium Silicide Surfaces, The Journal of Physical Chemistry C, 2019, 123, 44, 26743-26751 https://doi.org/10.1021/acs.jpcc.9b04980

28. Maoyu Wang, Líney Árnadóttir, Zhichuan Xu, Zhenxing Feng, X-ray Absorption Spectroscopy Studies of Nanoscale Electrocatalysts, Review, Nano-Micro Lett. 2019, 11:47 https://doi.org/10.1007/s40820-019-0277-x

27. Diulus, T.; Frederick, R.; Li, M.; Hutchison, D.; Olsen, M.; Lyubinetsky, I.; Árnadóttir, L.; Garfunkel, E.; Nyman, M.; Ogasawara, H.; Herman, G.; Ambient-pressure X-ray photoelectron spectroscopy characterization of radiation induced chemistries of organotin clusters, ACS Applied Materials and Interfaces, 2019, 11(2) 2526-2534. https://doi: 10.1021/acsami.8b19302

26. Hossein DorMohammadi, Pratik Murkute, Líney Árnadóttir, Qin Pang, O. Burkan Isgor, Investigation of iron passivity in highly alkaline media using reactive-force field molecular dynamics, Corrosion Science 157, 2019 p.31-40 https://doi.org/10.1016/j.corsci.2019.05.016

25. Pang, Q.; DorMohammadi, H.; Isgor, O.B; Árnadóttir, L.; The effect of surface vacancies on the interactions of Cl with the α-Fe2O3 (0001) surface and the role of Cl in depassivation, Corrosion Science in press https://doi.org/10.1016/j.corsci.2019.03.052

24. Hossein DorMohammadi, Pratik Murkute, Qin Pang, Líney Árnadóttir, O. Burkan Isgor, Chloride-induced depassivation of iron in alkaline media, npj Materials Degradation, in press DOI: 10.1038/s41529-019-0081-6

23. Yige, W.; Lei, F.; Freiberg, L.; Bagherisereshki, E.; Intarasiri, S.; Piyanut, I.; Árnadóttir, L.; Yokochi, A.F.T.; Jovanovic, G.; AuYeung, N.; Solar-driven Dry Reforming in a Milli-scale Reactor, ChemEngineering, 2018, 2(4), 50.

22. Sprowl, L.; Adam, B.; Tucker, J.; Árnadóttir, L. First-Principles Study of the Products of CO2 Dissociation on Nickel-Based Alloys: Trends in Energetics with Alloying Element. Surface Science 2018, 677, 219-231.

21. Adam, B.; Teeter, L.; Mahaffey, J.; Anderson, M.; Árnadóttir, L.; Tucker, J. Effects of Corrosion in Supercritical CO2 on the Microstructural Evolution in 800H Alloy. Oxidation of Metals 2018, 90, 1-16.

20. Dormohammadi, H.; Pang, Q.; Árnadóttir, L.; Isgor, O. Atomistic simulation of initial stages of iron corrosion in pure water using reactive molecular dynamics. Computational Materials Science 2018, 145, 126-133.

19. Pang, Q.; Dormohammadi, H.; Isgor, O.; Árnadóttir, L. Density functional theory study on the effect of OH and Cl adsorption on the surface structure of a-Fe2O3. Computational and Theoretical Chemistry 2017, 1100, 91-101.

18. Campbell, C.; Sprowl, L.; Árnadóttir, L. Reply to “Comment on ‘Equilibrium Constants and Rate Constants for Adsorbates: Two-Dimensional (2D) Ideal Gas, 2D Ideal Lattice Gas, and Ideal Hindered Translator Models’”. Journal Physical Chemistry C 2016, 120 (36), 20481-20482.

17. Ahrend, F.; Glebe,U.; Árnadóttir, L.; Baio, J.; Fischer, D.; Jaye, C.; Leung, B.; Hitchcock, A.; Weidner, T.; Siemeling, U.; Ehresmann, A. Magnetic Field Landscapes Guiding the Chemisorption of Diamagnetic Molecules. Langmuir 2016, 32 (41), 10491-10496.

16. Campbell, C.; Sprowl, L.; Árnadóttir, L.; Calculating equilibrium and rate constants for adsorbates: 2D ideal gas, 2D ideal lattice gas, and hindered translator models. Journal Physical Chemistry C 2016, 120 (19), 10283-10297.

15. Sprowl, L.; Campbell, C.; Árnadóttir, L. Hindered Translator and Hindered Rotor Models for Adsorbates: Partition Functions and Entropies. Journal Physical Chemistry C 2016, 120 (18), 9719-9731. [ACS Editors' Choice]

Sprowl, L.; Campbell, C.; Árnadóttir, L. Correction to “Hindered Translator and Hindered Rotor Models for Adsorbates: Partition Functions and Entropies.” Journal Physical Chemistry C 2017, 121 (17), 9655.

14. Du, X.; Durgan, C.; Matthews, D.; Motley, J.; Tan, X.; Pholsena, K.; Árnadóttir, L.; Castle, J.; Jacobs, P.; Cargill, R.; Ward, K.; Conley, J.; Herman, G. Fabrication of a Flexible Amperometric Glucose Sensor Using Additive Processes. ECS Journal of Solid State Science and Technology 2015, 4 (4), 3069-3074.

13. Motobayashi, K.; Árnadóttir, L.; Matsumoto, C.; Stuve, E.; Jónsson, H.; Kim, Y.; Kawai, M. Adsorption of Water Dimer on Platinum(111): Identification of the −OH···Pt Hydrogen Bond. ACS Nano 2014, 8 (11), 11583-11590.  [Highlighted in C&EN]

12. Zorn, G.; Liu, L.; Árnadóttir, L.; Wang, H.; Gamble, L.; Castner, D.; Yan, M. X-ray Photoelectron Spectroscopy Investigation of the Nitrogen Species in Photoactive Perfluorophenylazide-Modified Surfaces. J. Phys. Chem. C 2014, 118 (1), 376–383.

11. Flynn, B.; Kim, D.; Clark, B.; Telecky, A.; Árnadóttir, L.; Szanyi, J.; Keszler, D.; Herman, G. In-situ characterization of aqueous-based hafnium oxide hydroxide sulfate thin films. Surface and Interface Analysis 2014, 46 (4), 210-215.

10. Campbell, C.; Árnadóttir, L.; Sellers, J. Kinetic Prefactors of Reactions on Solid Surfaces. Z. Physikalische Chemie 2013, 227, 1435-1454.

9. Glebe,U.; Baio, J.; Árnadóttir, L.; Siemeling, U.; Weidner, T. Molecular Suction Pads: Self-Assembled Monolayers of Subphthalocyaninatoboron Complexes on Gold. Chem Phys Chem. 2013, 14 (6), 115-1166.

8. Árnadóttir, L.; Jónsson, H.; Stuve, E. The effect of coadsorbed water on the stability, configuration and interconversion of formyl (HCO) and hydroxymethylidyne (COH) on platinum (1 1 1). Chemical Physics Letters 2012, 541, 32-38. 

7. Árnadóttir, L.; Stuve, E.; Jónsson, H. Adsorption of water monomer and clusters on platinum(111) terrace, and related steps and kinks II. Surface diffusion. Surface Science 2012, 606, 233-238. 

6. Lew, W.; Crowe, M.; Karp, E.; Lytken, O.; Farmer, J.; Árnadóttir, L.; Schoenbaum, C.; Campbell, C. The Energy of Adsorbed Hydroxyl on Pt(111) by Microcalorimetry. Journal of Physical Chemistry 2011, 115 (23), 11586-11594.

5. Siemeling, U.;  Schirrmacher, C.; Glebe,U.; Bruhn, C.; Baio, J.; Árnadóttir, L.; Castner, D.; Weidner, T. Phthalocyaninato complexes with peripheral alkylthio chains: disk-like adsorbate species with central binding site for the coordinative anchoring of ligands on surfaces. Inorganica Chimica Acta 2011, 374 (1), 302-312.

4. Acton, O.; Hutchins, D.; Árnadóttir, L.; Weidner, T.; Ting, G.; Kim, T.; Cernetic, N.; Castner, D.; Ma, H.; Jen, A. Spin-Cast and Patterned Organo-Phosphonate Self-Assembled Monolayer Hybrid Dielectrics on Metal Oxide Activated Si. Advanced Materials 2011, 23 (16), 1899-1902.

3. Árnadóttir, L.; Stuve, E.; Jónsson, H. Adsorption of water monomer and clusters on platinum(111) terrace, and related steps and kinks: I. Configurations, energies, and hydrogen bonding. Surface Science 2010, 604, 1978-1986.

2. Árnadóttir, L.; Jónsson, H.; Stuve, E. 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 2008, 16 (2), 621-626.

1. Geirsson, J.; Árnadóttir, L.; Jonsson, S. Short and stereoselective synthesis of polysubstituted cyclohexanones. Tetrahedron 2004, 60 (40), 9149-9153.