Staff information

PNNL Publications

2023

• Mergelsberg S.T., B.P. Rajan, B.A. Legg, L. Kovarik, S.D. Burton, G.M. Bowers, and M.E. Bowden, et al. 2023. "Nanoscale Mg-Depleted Layers Slow Carbonation of Forsterite (Mg2SiO4) When Water Is Limited." Environmental Science & Technology Letters 10, no. 1:98-104. PNNL-SA-178504. doi:10.1021/acs.estlett.2c00866
• Prange M.P., N. Govind, P. Stinis, E.S. Ilton, and A.A. Howard. 2023. A Multifidelity and Multimodal Machine Learning Approach for Extracting Bonding Environments of Impurities and Dopants from X-ray Spectroscopies. PNNL-34996. Richland, WA: Pacific Northwest National Laboratory. A Multifidelity and Multimodal Machine Learning Approach for Extracting Bonding Environments of Impurities and Dopants from X-ray Spectroscopies
• Stagg O., K. Morris, L. Townsend, E.S. Ilton, L. Abrahamson-Mills, and S. Shaw. 2023. "Incorporation of actinides into iron (oxyhydr)oxides: a long-term environmental barrier to radionuclide migration." Applied Geochemistry 159. PNNL-SA-182191. doi:10.1016/j.apgeochem.2023.105830
• Yao J., S. Tripathi, B.K. McNamara, N. Lahiri, S.L. Riechers, S.D. Chatterjee, and D.D. Reilly, et al. 2023. "Advancing Radioactive Material Research Method: the Development of a Novel in situ Particle-attached Microfluidic Electrochemical Cell." Frontiers in Nuclear Engineering 2, no. 2023:Art. No. 1206110. PNNL-SA-183892. doi:10.3389/fnuen.2023.1206110

2022

• Luong N.T., E.S. Ilton, A. Shchukarev, and J. Boily. 2022. "Water film-driven Mn (oxy)(hydr)oxide nanocoating growth on Rhodochrosite." Geochimica et Cosmochimica Acta 329. PNNL-SA-178998. doi:10.1016/j.gca.2022.05.019
• Yao J., N. Lahiri, S. Tripathi, S.L. Riechers, E.S. Ilton, S. Chatterjee, and E.C. Buck. 2022. "A microfluidic electrochemical cell for studying the corrosion of uranium dioxide (UO2)." RSC Advances 12, no. 30:19350 - 19358. PNNL-SA-167082. doi:10.1039/d2ra02501a
• Yao J., S. Tripathi, E.S. Ilton, B.K. McNamara, N. Lahiri, M.J. O'Hara, and S.L. Riechers, et al. 2022. Corrosion of U233-Doped Uranium Oxide using Microfluidics Methods. PNNL-33210. Richland, WA: Pacific Northwest National Laboratory. Corrosion of U233-Doped Uranium Oxide using Microfluidics Methods

2021

• Bylaska E.J., D. Song, E.S. Ilton, S.T. O'Leary, T.L. Torralba-Sanchez, and P.G. Tratnyek. 2021. "Building Toward the Future in Chemical and Materials Simulation with Accessible and Intelligently Designed Web Applications." In Annual Reports in Computational Chemistry. 163-208. PNNL-SA-165904. doi:10.1016/bs.arcc.2021.09.003
• Cheng W., J. Lindholm, M. Holmboe, N.T. Luong, A. Shchukarev, E.S. Ilton, and K. Hanna, et al. 2021. "Nanoscale hydration in layered manganese oxides." Langmuir 37, no. 2:666-674. PNNL-SA-155738. doi:10.1021/acs.langmuir.0c02592
• Elmi C., J.E. Post, P.J. Heaney, and E.S. Ilton. 2021. "Effects of pH and Ca exchange on the structure and redox state of synthetic Na-birnessite." The American Mineralogist 106, no. 1:15-27. PNNL-SA-156275. doi:10.2138/am-2020-7112
• Ilton E.S., N.J. Henson, J. Matyas, and M. Sassi. 2021. Developing a Fundamental Knowledge Base for the Interaction of Ruthenium with Natural and Engineered Iron-Bearing Materials. PNNL-32111. Richland, WA: Pacific Northwest National Laboratory. Developing a Fundamental Knowledge Base for the Interaction of Ruthenium with Natural and Engineered Iron-Bearing Materials
• Loring J.S., O. Qafoku, C.J. Thompson, A.S. Mcneill, M. Vasiliu, D.A. Dixon, and Q. Miller, et al. 2021. "Synergistic Coupling of CO2 and H2O during Expansion of Clays in Supercritical CO2-CH4 Fluid Mixtures." Environmental Science & Technology 55, no. 16:11192-11203. PNNL-SA-143713. doi:10.1021/acs.est.1c00275
• Mergelsberg S.T., M.P. Prange, D. Song, E.J. Bylaska, S.A. Saslow, J.G. Catalano, and E.S. Ilton. 2021. "Resolving Configurational Disorder for Impurities in a Low Entropy Phase." The Journal of Physical Chemistry Letters 12, no. 24:5689-5694. PNNL-SA-161096. doi:10.1021/acs.jpclett.1c01218

2020

• Anovitz L.M., M. Cheshire, R. Hermann, X. Gu, J. Sheets, S.L. Brantley, and D.R. Cole, et al. 2020. "Oxidation and Associated Pore Structure Modification During Experimental Alteration of Granite." Geochimica et Cosmochimica Acta 292. PNNL-SA-156276. doi:10.1016/j.gca.2020.08.016
• Bagus P.S., C.J. Nelin, C.R. Brundle, N. Lahiri, E.S. Ilton, and K.M. Rosso. 2020. "Analysis of the Fe 2p XPS for Hematite alpha Fe2O3: Consequences of Covalent Bonding and Orbital Splittings on Multiplet Splittings." Journal of Chemical Physics 152, no. 1:014704. PNNL-SA-151329. doi:10.1063/1.5135595
• Bagus P.S., C.R. Brundle, and E.S. Ilton. 2020. "A Rigorous Non-Empirical Theoretical Analysis of the 2p XPS of NiO: Is it Necessary to Invoke Nonlocal Screening?." Journal of Electroanalytical Chemistry 875. PNNL-SA-149146. doi:10.1016/j.jelechem.2020.114135
• Ilton E.S., L. Kovarik, E. Nakouzi, S.T. Mergelsberg, M.E. McBriarty, and E.J. Bylaska. 2020. "Using Atom Dynamics to Map the Defect Structure Around an Impurity in Nano-Hematite." The Journal of Physical Chemistry Letters 11, no. 24:10396-10400. PNNL-SA-153756. doi:10.1021/acs.jpclett.0c02798
• Ling F.T., J.E. Post, P.J. Heaney, C.M. Santelli, E.S. Ilton, W.D. Burgos, and A.W. Rose. 2020. "A multi-method characterization of natural terrestrial birnessites." The American Mineralogist 105, no. 6:833-847. PNNL-SA-149385. doi:10.2138/am-2020-7303
• Mergelsberg S.T., S.N. Kerisit, E.S. Ilton, O. Qafoku, C.J. Thompson, and J.S. Loring. 2020. "Low Temperature and Limited Water Activity Reveal a Pathway to Magnesite via Amorphous Magnesium Carbonate." Chemical Communications 56, no. 81:12154-12157. PNNL-SA-154304. doi:10.1039/D0CC04907G
• Placencia-Gomez R.E., S.N. Kerisit, H.S. Mehta, O. Qafoku, C.J. Thompson, T.R. Graham, and E.S. Ilton, et al. 2020. "Critical Water Coverage during Forsterite Carbonation in Thin Water Films: Activating Dissolution and Mass Transport." Environmental Science & Technology 54, no. 11:6888-6899. PNNL-SA-151291. doi:10.1021/acs.est.0c00897

2019

• Bowers G.M., J.S. Loring, H.T. Schaef, S.S. Cunniff, E.D. Walter, S.D. Burton, and R.K. Larsen, et al. 2019. "Chemical Trapping of CO2 by Clay Minerals at Reservoir Conditions: Two Mechanisms Observed by In Situ High Pressure and Temperature Experiments." ACS Earth and Space Chemistry 3, no. 6:1034-1046. PNNL-SA-140918. doi:10.1021/acsearthspacechem.9b00038
• Buck E.C., S.I. Sinkov, E.S. Ilton, T.S. Scott, D.L. Blanchard, D.D. Reilly, and T.G. Lach, et al. 2019. Plutonium Particles in Samples Extracted from Hanford Tank Waste TX-118 and SY-102: Interim Report. PNNL-29154. Richland, WA: Pacific Northwest National Laboratory. Plutonium Particles in Samples Extracted from Hanford Tank Waste TX-118 and SY-102: Interim Report
• Buck E.C., X. Yu, J. Yao, D. Reilly, J. Son, S. Chatterjee, and B.K. McNamara, et al. 2019. In Situ Electrochemical Testing of Uranium Dioxide under Anoxic Conditions FY19 Report. PNNL-29171. Richland, WA: Pacific Northwest National Laboratory. In Situ Electrochemical Testing of Uranium Dioxide under Anoxic Conditions FY19 Report
• Bylaska E.J., J.G. Catalano, S.T. Mergelsberg, S.A. Saslow, O. Qafoku, M.P. Prange, and E.S. Ilton. 2019. "Association of Defects and Zinc in Hematite." Environmental Science & Technology 53, no. 23:13687-13694. PNNL-SA-144849. doi:10.1021/acs.est.9b04323
• Kerisit S.N., Z. Shen, M.P. Prange, and E.S. Ilton. 2019. "Separation of Radiolytic Species at the Boehmite-Water Interface." Journal of Physical Chemistry C 123, no. 25:15534-15539. PNNL-SA-140823. doi:10.1021/acs.jpcc.9b02144
• Miller Q., D.A. Dixon, S.D. Burton, E.D. Walter, D.W. Hoyt, A.S. Mcneill, and J. Moon, et al. 2019. "Surface-Catalyzed Oxygen Exchange during Mineral Carbonation in Nanoscale Water Films." Journal of Physical Chemistry C 123, no. 20:12871-12885. PNNL-SA-141756. doi:10.1021/acs.jpcc.9b02215
• Soltis J.A., M.E. McBriarty, O. Qafoku, S.N. Kerisit, E. Nakouzi, J.J. De Yoreo, and E.S. Ilton. 2019. "Can Mineral Growth by Oriented Attachment Lead to Incorporation of Uranium(VI) into the Structure of Goethite?." Environmental Science Nano 6, no. 10:3000-3009. PNNL-SA-145133. doi:10.1039/c9en00779b
• Spurgeon S.R., M. Sassi, C. Ophus, J. Stubbs, E.S. Ilton, and E.C. Buck. 2019. "Nanoscale Oxygen Defect Gradients in UO2+x surfaces." Proceedings of the National Academy of Sciences (PNAS) 116, no. 35:17181-17186. PNNL-SA-141717. doi:10.1073/pnas.1905056116

2018

• Bagus P.S., C.J. Nelin, M. Sassi, E.S. Ilton, and K.M. Rosso. 2018. "Consequences of Realistic Embedding for the L2,3 Edge XAS of a-Fe2O3." Physical Chemistry Chemical Physics 20, no. 6:4396-4403. PNNL-SA-131666. doi:10.1039/c7cp06926j
• Bagus P.S., E.S. Ilton, and C.J. Nelin. 2018. "Extracting Chemical Information from XPS Spectra: A Perspective." Catalysis Letters 148, no. 7:1785-1802. PNNL-SA-137833. doi:10.1007/s10562-018-2417-1
• Ling F.T., J.E. Post, P.J. Heaney, and E.S. Ilton. 2018. "The relationship between Mn oxidation state and structure in triclinic and hexagonal birnessites." Chemical Geology 479. PNNL-SA-135583. doi:10.1016/j.chemgeo.2018.01.011
• McBriarty M.E., S.N. Kerisit, E.J. Bylaska, S. Shaw, K. Morris, and E.S. Ilton. 2018. "Iron Vacancies Accommodate Uranyl Incorporation into Hematite." Environmental Science & Technology 52, no. 11:6282-6290. PNNL-SA-131768. doi:10.1021/acs.est.8b00297
• Miller Q., E.S. Ilton, O. Qafoku, D.A. Dixon, M. Vasiliu, C.J. Thompson, and H.T. Schaef, et al. 2018. "Water Structure Controls Carbonic Acid Formation in Adsorbed Water Films." The Journal of Physical Chemistry Letters 9, no. 17:4988-4994. PNNL-SA-136469. doi:10.1021/acs.jpclett.8b02162
• Peterson R.A., E.C. Buck, J. Chun, R.C. Daniel, D.L. Herting, E.S. Ilton, and G.J. Lumetta, et al. 2018. "Review of the Scientific Understanding of Radioactive Waste at the U.S. DOE Hanford Site." Environmental Science & Technology 52, no. 2:381-396. PNNL-SA-128559. doi:10.1021/acs.est.7b04077
• Popel A., T.W. Wietsma, M.H. Engelhard, A. Lea, O. Qafoku, C. Grygiel, and I. Monnet, et al. 2018. "The Effect of Ion Irradiation on the Dissolution of UO2 and UO2-based Simulant Fuel." Journal of Alloys and Compounds 735. PNNL-SA-129551. doi:10.1016/j.jallcom.2017.11.216
• Prange M.P., X. Zhang, E.S. Ilton, L. Kovarik, M.H. Engelhard, and S.N. Kerisit. 2018. "Electronic Response of Aluminum-Bearing Minerals." Journal of Chemical Physics 149, no. 2:024502. PNNL-SA-132258. doi:10.1063/1.5037104
• Prange M.P., X. Zhang, M.E. Bowden, Z. Shen, E.S. Ilton, and S.N. Kerisit. 2018. "Predicting Surface Energies and Particle Morphologies of Boehmite (y-AlOOH) from Density Functional Theory." Journal of Physical Chemistry C 122, no. 19:10400-10412. PNNL-SA-131316. doi:10.1021/acs.jpcc.8b00278
• Qafoku O., E.S. Ilton, M.E. Bowden, L. Kovarik, X. Zhang, R.K. Kukkadapu, and M.H. Engelhard, et al. 2018. "Synthesis of Nanometer-Sized Fayalite and Magnesium-Iron(II) Mixture Olivines." Journal of Colloid and Interface Science 515. PNNL-SA-131663. doi:10.1016/j.jcis.2018.01.036
• Shen Z., E.S. Ilton, M.P. Prange, C.J. Mundy, and S.N. Kerisit. 2018. "Diffusion Mechanisms of Radiolytic Species in Irradiated Al (Oxy-)Hydroxides." Journal of Physical Chemistry C 122, no. 50:28990-28997. PNNL-SA-136174. doi:10.1021/acs.jpcc.8b07809

2017

• Bagus P.S., C.J. Nelin, and E.S. Ilton. 2017. "The Effect of Symmetry on the U L3 NEXAFS of Octahedral Coordinated Uranium(VI)." Journal of Chemical Physics 146, no. 11:Article No. 114703. PNNL-SA-123334. doi:10.1063/1.4978481
• Bagus P.S., C.J. Nelin, D. Hrovat, and E.S. Ilton. 2017. "Covalent Bonding In Heavy Metal Oxides." Journal of Chemical Physics 146, no. 13:Article No. 134706. PNNL-SA-123570. doi:10.1063/1.4979018
• Bagus P.S., C.J. Nelin, E.S. Ilton, M. Sassi, and K.M. Rosso. 2017. "Analysis of X-ray adsorption edges: L2,3 edge of FeCl4-." Journal of Chemical Physics 147, no. 22:Article No. 224306. PNNL-SA-131505. doi:10.1063/1.5006223
• Conroy M.A., J.A. Soltis, R.S. Wittman, F.N. Smith, S. Chatterjee, X. Zhang, and E.S. Ilton, et al. 2017. "Importance of interlayer H bonding structure to the stability of layered minerals." Scientific Reports 7, no. 1:Article No. 13274. PNNL-SA-126728. doi:10.1038/s41598-017-13452-7
• Ilton E.S., Y. Du, J. Stubbs, P. Eng, A.M. Chaka, J.R. Bargar, and J.R. Bargar, et al. 2017. "Quantifying Small Changes in Uranium Oxidation States Using XPS of a Shallow Core Level." Physical Chemistry Chemical Physics 19, no. 45:30473-30480. PNNL-SA-128608. doi:10.1039/c7cp05805e
• McBriarty M.E., J.A. Soltis, S.N. Kerisit, O. Qafoku, M.E. Bowden, E.J. Bylaska, and J.J. De Yoreo, et al. 2017. "Trace Uranium Partitioning in a Multi-Phase Nano-FeOOH System." Environmental Science & Technology 51, no. 9:4970-4977. PNNL-SA-123284. doi:10.1021/acs.est.7b00432
• Qafoku O., C.I. Pearce, A. Neumann, L. Kovarik, M. Zhu, E.S. Ilton, and M.E. Bowden, et al. 2017. "Tc(VII) and Cr(VI) Interaction with a Naturally Reduced Ferruginous Smectite from the Redox Transition Zone." Environmental Science & Technology 51, no. 16:9042-9052. PNNL-SA-127378. doi:10.1021/acs.est.7b02191
• Schaef H.T., N. Loganathan, G.M. Bowers, R.J. Kirkpatrick, A.O. Yazaydin, S.D. Burton, and D.W. Hoyt, et al. 2017. "Tipping Point for Expansion of Layered Aluminosilicates in Weakly Polar Solvents: Supercritical CO2." ACS Applied Materials & Interfaces 9, no. 42:36783-36791. PNNL-SA-127664. doi:10.1021/acsami.7b10590
• Shen Z., E.S. Ilton, M.P. Prange, and S.N. Kerisit. 2017. "Molecular Dynamics Simulations of the Interfacial Region between Boehmite and Gibbsite Basal Surfaces and High Ionic Strength Aqueous Solutions." Journal of Physical Chemistry C 121, no. 25:13692-13700. PNNL-SA-124555. doi:10.1021/acs.jpcc.7b02463
• Stubbs J., C.A. Biwer, A.M. Chaka, E.S. Ilton, Y. Du, J. Bargar, and P. Eng. 2017. "Oxidative Corrosion of the UO2 (001) Surface by Nonclassical Diffusion." Langmuir 33, no. 46:13189-13196. PNNL-SA-130086. doi:10.1021/acs.langmuir.7b02800
• Tsarev S., R.N. Collins, E.S. Ilton, A. Fahy, and T.D. Waite. 2017. "The short-term reduction of uranium by nanoscale zero-valent iron (nZVI): role of oxide shell, reduction mechanism and the formation of U(V)-carbonate phases." Environmental Science: Nano 4, no. 6:1304-1313. PNNL-SA-123335. doi:10.1039/C7EN00024C
• Xu M., S.L. Riechers, E.S. Ilton, Y. Du, L. Kovarik, T. Varga, and B.W. Arey, et al. 2017. "Manganese-Calcium Intermixing Facilitates Heteroepitaxial Growth at the (10-14) Calcite-Water Interface." Chemical Geology 470. PNNL-SA-125533. doi:10.1016/j.chemgeo.2017.09.001

2016

• Chatterjee S., M.A. Conroy, F.N. Smith, H. Jung, Z. Wang, R.A. Peterson, and A. Huq, et al. 2016. "Can Cr(III) substitute for Al(III) in the structure of Boehmite?." RSC Advances 6, no. 109:107628-107637. PNNL-SA-119359. doi:10.1039/c6ra20234a
• Guo X., A. Navrotsky, R.K. Kukkadapu, M.H. Engelhard, A. Lanzirotti, M. Newville, and E.S. Ilton, et al. 2016. "Structure and Thermodynamics of Uranium-Containing Iron Garnets." Geochimica et Cosmochimica Acta 189. PNNL-SA-113283. doi:10.1016/j.gca.2016.05.043
• Guo X., C. Lipp, E. Tiferet, A. Lanzirotti, M. Newville, M.H. Engelhard, and D. Wu, et al. 2016. "Structure and Thermodynamic Stability of UTa3O10, a U(v)-bearing Compound." Dalton Transactions 45, no. 47:18892-18899. PNNL-SA-123270. doi:10.1039/c6dt02843h
• Guo X., E. Tiferet, L. Qi, J. Solomon, A. Lanzirotti, M. Newville, and M.H. Engelhard, et al. 2016. "U(v) in Metal Uranates: A Combined Experimental And Theoretical Study of MgUO4, CrUO4 and FeUO4." Dalton Transactions 45, no. 11:4622-4632. PNNL-SA-113798. doi:10.1039/C6DT00066E
• Ilton E.S., J.E. Post, P.J. Heaney, F.T. Ling, and S.N. Kerisit. 2016. "XPS Determination of Mn Oxidation States in Mn (Hydr)oxides." Applied Surface Science 366. PNNL-SA-113206. doi:10.1016/j.apsusc.2015.12.159
• Kerisit S.N., E.J. Bylaska, m.s. Massey, M.E. McBriarty, and E.S. Ilton. 2016. "Ab Initio Molecular Dynamics of Uranium Incorporated in Goethite (a-FeOOH): Interpretation of X-Ray Absorption Spectroscopy of Trace Polyvalent Metals." Inorganic Chemistry 55, no. 22:11736-11746. PNNL-SA-119375. doi:10.1021/acs.inorgchem.6b01773

2015

• Felmy A.R., O. Qafoku, B.W. Arey, L. Kovarik, J. Liu, D.E. Perea, and E.S. Ilton. 2015. "Enhancing Magnesite Formation at Low Temperature and High CO2 Pressure: The Impact of Seed Crystals and Minor Components." Chemical Geology 395. PNNL-SA-107559. doi:10.1016/j.chemgeo.2014.12.003
• Ilton E.S., T.C. Droubay, A.M. Chaka, L. Kovarik, T. Varga, B.W. Arey, and S.N. Kerisit. 2015. "Epitaxial single-crystal thin films of MnxTi1-xO2-d grown on (rutile)TiO2 substrates with pulsed laser deposition: Experiment and theory." Surface Science 632. PNNL-SA-102453. doi:10.1016/j.susc.2014.10.013
• Krukowski E., A. Goodman, G. Rother, E.S. Ilton, G. Guthrie, G. Guthrie, and R.J. Bodnar. 2015. "FT-IR Study of CO2 Interaction with Na+ exchanged Montmorillinite." Applied Clay Science 114. PNNL-SA-108883. doi:10.1016/j.clay.2015.05.005
• Loring J.S., J. Chen, P. Benezeth Ep Gisquet, O. Qafoku, E.S. Ilton, N.M. Washton, and C.J. Thompson, et al. 2015. "Evidence for Carbonate Surface Complexation during Forsterite Carbonation in Wet Supercritical Carbon Dioxide." Langmuir 31, no. 27:7533-7543. PNNL-SA-110896. doi:10.1021/acs.langmuir.5b01052
• Loring J.S., J. Chen, P. Benezeth, O. Qafoku, E.S. Ilton, N.M. Washton, and C.J. Thompson, et al. 2015. "Evidence for Carbonate Surface Complexation during Forsterite Carbonation in Wet Supercritical Carbon Dioxide." Langmuir 31, no. 27:7533-7543. PNNL-SA-109630. doi:10.1021/acs.langmuir.5b01052
• Schaef H.T., J.S. Loring, V.A. Glezakou, Q.R. Miller, J. Chen, A.T. Owen, and M. Lee, et al. 2015. "Competitive Sorption of CO2 and H2O in 2:1 Layer Phyllosilicates." Geochimica et Cosmochimica Acta 16. PNNL-SA-101900. doi:10.1016/j.gca.2015.03.027
• Stubbs J., A.M. Chaka, E.S. Ilton, C.A. Biwer, M.H. Engelhard, J.R. Bargar, and J.R. Bargar, et al. 2015. "UO2 oxidative corrosion by non-classical diffusion." Physical Review Letters 114, no. 24:246103. PNNL-SA-108810. doi:10.1103/PhysRevLett.114.246103
• Xu M., E.S. Ilton, M.H. Engelhard, O. Qafoku, A.R. Felmy, K.M. Rosso, and S.N. Kerisit. 2015. "Heterogeneous growth of cadmium and cobalt carbonate phases at the (101¯4) calcite surface." Chemical Geology 397. PNNL-SA-104045. doi:10.1016/j.chemgeo.2015.01.003
• Yuan K., E.S. Ilton, M.R. Antonio, Z. Li, P.J. Cook, and U. Becker. 2015. "Electrochemical and spectroscopic evidence on the one-electron reduction of U(VI) to U(V) on magnetite." Environmental Science & Technology 49, no. 10:6206-6213. PNNL-SA-108945. doi:10.1021/acs.est.5b00025

2014

• Felmy A.R., D.A. Moore, E.C. Buck, S.D. Conradson, R.K. Kukkadapu, L.E. Sweet, and D.G. Abrecht, et al. 2014. "The Solubility of 242PuO2 in the Presence of Aqueous Fe(II): The Impact of Precipitate Preparation." Radiochimica Acta 102, no. 10:861-874. PNNL-SA-99949. doi:10.1515/ract-2013-2187
• Kerisit S.N., A.M. Chaka, T.C. Droubay, and E.S. Ilton. 2014. "Shell Model for Atomistic Simulation of Lithium Diffusion in Mixed Mn/Ti Oxides." Journal of Physical Chemistry C 118, no. 42:24231-24239. PNNL-SA-102922. doi:10.1021/jp506025k
• Loring J.S., E.S. Ilton, J. Chen, C.J. Thompson, P.F. Martin, P. Benezeth, and K.M. Rosso, et al. 2014. "In Situ Study of CO2 and H2O Partitioning Between Na-Montmorillonite and Variably Wet Supercritical Carbon Dioxide." Langmuir 30, no. 21:6120-6128. PNNL-SA-101130. doi:10.1021/la500682t
• Massey M.S., J.S. Lezama Pacheco, M. Jones, E.S. Ilton, J.M. Cerrato, J.R. Bargar, and J.R. Bargar, et al. 2014. "Competing retention pathways of uranium upon reaction with Fe(II)." Geochimica et Cosmochimica Acta 142. PNNL-SA-98470. doi:10.1016/j.gca.2014.07.016
• Nelin C.J., P.S. Bagus, and E.S. Ilton. 2014. "Theoretical Analysis of the U L-3-Edge NEXAFS for U Oxides." RSC Advances 4, no. 14:7148-7153. PNNL-SA-98468. doi:10.1039/C3RA46738D
• Qafoku O., J.Z. Hu, N.J. Hess, M.Y. Hu, E.S. Ilton, J. Feng, and B.W. Arey, et al. 2014. "Formation of Submicron Magnesite during Reaction of Natural Forsterite in H2O-Saturated Supercritical CO2." Geochimica et Cosmochimica Acta 134. PNNL-SA-93839. doi:10.1016/j.gca.2013.09.024

2013

• Bagus P.S., and E.S. Ilton. 2013. "THEORY FOR THE XPS OF ACTINIDES." Topics in Catalysis 56, no. 12:1121-1128. PNNL-SA-96578. doi:10.1007/s11244-013-0078-2
• Bagus P.S., C.J. Nelin, and E.S. Ilton. 2013. "Theoretical modeling of the uranium 4f XPS for U(VI) and U(IV) oxides." Journal of Chemical Physics 139, no. 24:244704. PNNL-SA-98469. doi:10.1063/1.4846135
• Bagus P.S., E.S. Ilton, and C.J. Nelin. 2013. "The Interpretation of XPS Spectra: Insights Into Materials Properties." Surface Science Reports 68, no. 2:273-304. PNNL-SA-94514. doi:10.1016/j.surfrep.2013.03.001
• Loring J.S., H.T. Schaef, C.J. Thompson, R.V. Turcu, Q.R. Miller, J. Chen, and J.Z. Hu, et al. 2013. "Clay hydration/dehydration in dry to water-saturated supercritical CO2: Implications for caprock integrity." Energy Procedia 37. PNNL-SA-91508. doi:10.1016/j.egypro.2013.06.463
• Rother G., E.S. Ilton, D. Wallacher, T. Hauss, H.T. Schaef, O. Qafoku, and K.M. Rosso, et al. 2013. "CO2 Sorption to Subsingle Hydration Layer Montmorillonite Clay Studied by Excess Sorption and Neutron Diffraction Measurements." Environmental Science & Technology 47, no. 1:205-211. PNNL-SA-90289. doi:10.1021/es301382y
• Zachara J.M., E.S. Ilton, and C. Liu. 2013. "Reactive Transport of the Uranyl Ion in Soils, Sediments, and Groundwater Systems." In Uranium - Cradle to Grave. Short Course Series, edited by PC Burns and GE Sigmon. 255-299. Quebec, :Mineralogical Association of Canada. PNNL-SA-94443.

2012

• Atta-Fynn R., D.F. Johnson, E.J. Bylaska, E.S. Ilton, G.K. Schenter, and W.A. De Jong. 2012. "Structure and Hydrolysis of the U(IV), U(V), and U(VI) Aqua Ions from Ab Initio Molecular Simulations." Inorganic Chemistry 51, no. 5:3016-3024. PNNL-SA-83752. doi:10.1021/ic202338z
• Bagus P.S., E.S. Ilton, R.L. Martin, H.A. Jensen, and S. Knecht. 2012. "Spin-Orbit Coupling in Actinide Cations." Chemical Physics Letters 546. PNNL-SA-91843. doi:10.1016/j.cplett.2012.07.035
• Felmy A.R., D.A. Moore, C.I. Pearce, S.D. Conradson, O. Qafoku, E.C. Buck, and K.M. Rosso, et al. 2012. "Controls on Soluble Pu Concentrations in PuO2/Magnetite Suspensions." Environmental Science & Technology 46, no. 21:11610-11617. PNNL-SA-83931. doi:10.1021/es3028956
• Felmy A.R., O. Qafoku, B.W. Arey, J.Z. Hu, M.Y. Hu, H.T. Schaef, and E.S. Ilton, et al. 2012. "Reaction of Water-Saturated Supercritical CO2 with Forsterite: Evidence for Magnesite Formation at Low Temperatures." Geochimica et Cosmochimica Acta 91. PNNL-SA-82433. doi:10.1016/j.gca.2012.05.026
• Ilton E.S., H.T. Schaef, O. Qafoku, K.M. Rosso, and A.R. Felmy. 2012. "In Situ X-Ray Diffraction Study of Na+ Saturated Montmorillonite Exposed to Variably Wet Super Critical CO2." Environmental Science & Technology 46, no. 7:4241-4248. PNNL-SA-85184. doi:10.1021/es300234v
• Ilton E.S., J.S. Lazama Pacheco, J.R. Bargar, J.R. Bargar, Z. Shi, J. Liu, and L. Kovarik, et al. 2012. "Reduction of U(VI) Incorporated in the Structure of Hematite." Environmental Science & Technology 46, no. 17:9428-9436. PNNL-SA-87404. doi:10.1021/es3015502
• Ilton E.S., Z. Wang, J.F. Boily, O. Qafoku, K.M. Rosso, and S.C. Smith. 2012. "The Effect of pH and Time on the Extractability and Speciation of Uranium(VI) Sorbed to SiO2." Environmental Science & Technology 46, no. 12:6604-6611. PNNL-SA-84633. doi:10.1021/es300501v
• Loring J.S., H.T. Schaef, R.V. Turcu, C.J. Thompson, Q. Miller, P.F. Martin, and J.Z. Hu, et al. 2012. "In Situ Molecular Spectroscopic Evidence for CO2 Intercalation into Montmorillonite in Supercritical Carbon Dioxide." Langmuir 28, no. 18:7125-7128. PNNL-SA-86500. doi:10.1021/la301136w
• Qafoku O., L. Kovarik, R.K. Kukkadapu, E.S. Ilton, B.W. Arey, J. Tucek, and A.R. Felmy. 2012. "Fayalite Dissolution and Siderite Formation in Water-Saturated Supercritical CO2." Chemical Geology 332-333. PNNL-SA-90841. doi:10.1016/j.chemgeo.2012.09.028
• Schaef H.T., E.S. Ilton, O. Qafoku, P.F. Martin, A.R. Felmy, and K.M. Rosso. 2012. "In situ XRD Study of Ca2+ Saturated Montmorillonite (STX-1) Exposed to Anhydrous and Wet Supercritical Carbon Dioxide." International Journal of Greenhouse Gas Control 6, no. 1:220-229. PNNL-SA-80472. doi:10.1016/j.ijggc.2011.11.001
• Singer D.M., S.M. Chatman, E.S. Ilton, K.M. Rosso, J.F. Banfield, and G. Waychunas. 2012. "Identification of simultaneous U(VI) sorption complexes and U(IV) nanoprecipitates on the magnetite (111) surface." Environmental Science & Technology 46, no. 7:3811-3820. PNNL-SA-83908. doi:10.1021/es203877x
• Singer D.M., S.M. Chatman, E.S. Ilton, K.M. Rosso, J.F. Banfield, and G. Waychunas. 2012. "U(VI) sorption and reduction kinetics on the magnetite (111) surface." Environmental Science & Technology 46, no. 7:3821-3830. PNNL-SA-83907. doi:10.1021/es203878c

2011

• Droubay T.C., C.I. Pearce, E.S. Ilton, M.H. Engelhard, W. Jiang, S.M. Heald, and E. Arenholz, et al. 2011. "Epitaxial Fe3-xTixO4 films from magnetite to ulvöspinel by pulsed laser deposition." Physical Review B 84, no. 12:Article No. 125443. PNNL-SA-78052. doi:10.1103/PhysRevB.84.125443
• Felmy A.R., D.A. Moore, K.M. Rosso, O. Qafoku, D. Rai, E.C. Buck, and E.S. Ilton. 2011. "Heterogeneous Reduction of PuO2 with Fe(II): Importance of the Fe(III) Reaction Product." Environmental Science & Technology 45, no. 9:3952-3958. PNNL-SA-76908.
• Felmy A.R., E.S. Ilton, K.M. Rosso, and J.M. Zachara. 2011. "Interfacial Reactivity of Radionuclides: Emerging Paradigms from Molecular Level Observations." Mineralogical Magazine 75, no. 4:2379-2391. PNNL-SA-80615.
• Ilton E.S., and P.S. Bagus. 2011. "XPS Determination of Uranium Oxidations States." Surface and Interface Analysis 43, no. 13:1549-1560. PNNL-SA-80657. doi:10.1002/sia.3836
• Kerisit S.N., A.R. Felmy, and E.S. Ilton. 2011. "Atomistic Simulations of Uranium Incorporation into Iron (Hydr)Oxides." Environmental Science & Technology 45, no. 7:2770-2776. PNNL-SA-76491.
• Kwak J., J.Z. Hu, R.V. Turcu, K.M. Rosso, E.S. Ilton, C.M. Wang, and J.A. Sears, et al. 2011. "The Role of H2O in the Carbonation of Forsterite in Supercritical CO2." International Journal of Greenhouse Gas Control 5, no. 4:1081-1092. PNNL-SA-76665. doi:10.1016/j.ijggc.2011.05.013
• Loring J.S., C.J. Thompson, Z. Wang, A.G. Joly, D.S. Sklarew, H.T. Schaef, and E.S. Ilton, et al. 2011. "In Situ Infrared Spectroscopic Study of Forsterite Carbonation in Wet Supercritical CO2." Environmental Science & Technology 45, no. 14:6204-6210. PNNL-SA-74249. doi:10.1021/es201284e
• Skomurski F.N., E.S. Ilton, M.H. Engelhard, B.W. Arey, and K.M. Rosso. 2011. "Heterogeneous Reduction of U6+ by Structural Fe2+ From Theory and Experiment." Geochimica et Cosmochimica Acta 75, no. 22:7277-7290. PNNL-SA-78537. doi:10.1016/j.gca.2011.08.006

2010

• Baer D.R., A.E. Grosz, E.S. Ilton, K.M. Krupka, J. Liu, R.L. Penn, and A. Pepin. 2010. "Separation, Characterization and Initial Reaction Studies of Magnetite Particles from Hanford Sediments." Physics and Chemistry of the Earth 35, no. 6-8:233-241. PNNL-SA-69255. doi:10.1016/j.pce.2010.04.010
• Baer D.R., A.E. Grosz, E.S. Ilton, K.M. Krupka, J. Liu, R.L. Penn, and A. Pepin. 2010. "Separation, Characterization and Initial Reaction Studies of Magnetite Particles from Hanford Sediments." Physics and Chemistry of the Earth 35, no. 6-8:233-241. PNNL-SA-72295. doi:10.1016/j.pce.2010.04.010
• Bagus P.S., C.J. Nelin, E.S. Ilton, M. Baron, H. Abbott, E. Primorac, and H. Kuhlenbeck, et al. 2010. "The Complex Core Level Spectra of CeO2: An Analysis in Terms of Atomic and Charge Transfer Effects." Chemical Physics Letters 487, no. 4-6:237-240. PNNL-SA-67481. doi:10.1016/j.cplett.2010.01.041
• Ilton E.S., J.F. Boily, E.C. Buck, F.N. Skomurski, K.M. Rosso, C.L. Cahill, and J.R. Bargar, et al. 2010. "Influence of Dynamical Conditions on the Reduction of UVI at the Magnetite-Solution Interface." Environmental Science & Technology 44, no. 1:170-176. PNNL-SA-66737.
• Ilton E.S., J.M. Zachara, D.A. Moore, J.P. McKinley, A.D. Eckberg, C.L. Cahill, and A.R. Felmy. 2010. "Dissolution study of Metatorbernite: Thermodynamic Properties and the effect of pH and Phosphate." Environmental Science & Technology 44, no. 19:7521-7526. PNNL-SA-72694. doi:10.1021/es101619f
• Nelin C.J., P.S. Bagus, E.S. Ilton, S.A. Chambers, H. Kuhlenbeck, and H. Freund. 2010. "Relationships Between Complex Core Level Spectra and Materials Properties." International Journal of Quantum Chemistry 110, no. 15:2752-2764. PNNL-SA-77074. doi:10.1002/qua.22807
• Qafoku N., P.E. Dresel, E.S. Ilton, J.P. McKinley, and C.T. Resch. 2010. "Chromium transport in an acidic waste contaminated subsurface medium: The role of reduction." Chemosphere 81, no. 11:1492-1500. PNNL-SA-71074. doi:10.1016/j.chemosphere.2010.08.043

2009

• Ulrich K., E.S. Ilton, H. Veeramani, H. Veeramani, J.O. Sharp, R. Bernier-Latmani, and E.J. Schofield, et al. 2009. "Comparative Dissolution Kinetics of Biogenic and Chemogenic Uraninite Under Oxidizing Conditions in the Presence of Carbonate." Geochimica et Cosmochimica Acta 73, no. 20:6065-6083. PNNL-SA-70577. doi:10.1016/j.gca.2009.07.012
• Wiatrowski H.A., S. Das, R.K. Kukkadapu, E.S. Ilton, T. Barkay, and N. Yee. 2009. "Reduction of Hg(II) to Hg(0) by Magnetite." Environmental Science & Technology 43, no. 14:5307-5313. PNNL-SA-64692. doi:10.1021/es9003608

2008

• Bagus P.S., H. Freund, H. Kuhlenbeck, and E.S. Ilton. 2008. "A New Analysis of X-Ray Adsorption Branching Ratios: Use of Russell-Saunders Coupling." Chemical Physics Letters 455, no. 4-6:331-334. PNNL-SA-60636.
• Bagus P.S., R. Broer, and E.S. Ilton. 2008. "Atomic Near-Degeneracy For Photoemission: Generality of 4f Excitations." Journal of Electron Spectroscopy and Related Phenomena 165, no. 1-3:46-49. PNNL-SA-61057. doi:10.1016/j.elspec.2008.07.008
• Belai N., M. Frisch, E.S. Ilton, B. Ravel, and C.L. Cahill. 2008. "Pentavalent Uranium Oxide via Reduction of [UO2]2+ Under Hydrothermal Reaction Conditions." Inorganic Chemistry 47, no. 21:10135-10140. PNNL-SA-60579. doi:10.1021/ic801534m
• Boily J.F., and E.S. Ilton. 2008. "An Independent Confirmation of the Correlation of Uf4 Primary Peaks and Satellite Structures of UVI, UV and UIV in Mixed Valence Uranium Oxides by Two-Dimensional Correlation Spectroscopy." Surface Science 602, no. 24:3637-3646. PNNL-SA-60685.
• Ilton E.S., and P.S. Bagus. 2008. "Ligand field effects on the multiplet structure of the U4f XPS of UO2." Surface Science 602, no. 5:1114-1121. PNNL-SA-57226. doi:10.1016/j.susc.2008.01.010
• Ilton E.S., N. Qafoku, C. Liu, D.A. Moore, and J.M. Zachara. 2008. "Advective Removal of Intraparticle Uranium from Contaminated Vadose Zone Sediments, Hanford, USA." Environmental Science & Technology 42, no. 5:1565-1571. PNNL-SA-52135. doi:10.1021/es071113m
• Kerisit S.N., C. Liu, and E.S. Ilton. 2008. "Molecular dynamics simulations of the orthoclase (001)- and (010)-water interfaces." Geochimica et Cosmochimica Acta 72, no. 6:1481-1497. PNNL-SA-57227.
• Schofield E.J., H. Veeramani, H. Veeramani, J. Sharp, E. Suvorova, R. Bernier-Latmani, and A. Mehta, et al. 2008. "Structure of biogenic uraninite produced by Shewanella oneidensis strain MR-1." Environmental Science & Technology 42, no. 21:7898-7904. PNNL-SA-60578. doi:10.1021/es800579g

2007

• Bagus P.S., and E.S. Ilton. 2007. "Atomic Many-body effects in the 4f XPS of the U5+ and U4+ cations: Part II: Consequences of Orbital Relaxation." Theoretical Chemistry Accounts 118, no. 3:495-502. PNNL-SA-53529. doi:10.1007/s00214-007-0364-9
• Fang J., Z. Gu, D. Gang, C. Liu, E.S. Ilton, and B. Deng. 2007. "Cr(VI) removal from aqueous solution by activated carbon coated with quaternized poly(4-vinylpyridine)." Environmental Science & Technology 41, no. 13:4748-4753. PNNL-SA-46994. doi:10.1021/es061969b
• Ilton E.S., J.F. Boily, and P.S. Bagus. 2007. "Beam Induced Reduction of U(VI) During X-ray Photoelectron Spectroscopy: The Utility of the U4f Satellite Structure for Identifying Uranium Oxidation States in Mixed Valence Uranium Oxides." Surface Science 601, no. 4:908-916. PNNL-SA-50833. doi:10.1016/j.susc.2006.11.067

2006

• Bagus P.S., and E.S. Ilton. 2006. "Effects of Covalency on the p-Shell Photoemission of Transition Metals: MnO." Physical Review. B, Condensed Matter 73, no. 15:155110. PNNL-SA-48525.
• Bagus P.S., C. Woll, and E.S. Ilton. 2006. "A Definitive Analysis of the Rydberg and Valence Anti-bonding Character of States in the O K-edge of H2O." Chemical Physics Letters 428, no. 1-3:207-212. PNNL-SA-48526. doi:10.1016/j.cplett.2006.07.030
• Ilton E.S., C. Liu, W. Yantasee, Z. Wang, D.A. Moore, A.R. Felmy, and J.M. Zachara. 2006. "The Dissolution of Synthetic Na-Boltwoodite in Sodium Carbonate Solutions." Geochimica et Cosmochimica Acta 70, no. 19:4836-4849. PNNL-SA-46902. doi:10.1016/j.gca.2006.06.1553
• Ilton E.S., S.M. Heald, S. Smith, D. Elbert, and C. Liu. 2006. "Reduction of Uranyl in the Interlayer Region of Low Iron Micas Under Anoxic and Aerobic Conditions." Environmental Science & Technology 40, no. 16:5003-5009. PNNL-SA-54679.
• Ilton E.S., S.M. Heald, S.C. Smith, D. Elbert, and C. Liu. 2006. "Reduction of Uranyl in the Interlayer Region of Low Iron Micas Under Anoxic and Aerobic Conditions." Environmental Science & Technology 40, no. 16:5003-5009. PNNL-SA-47080.
• Kerisit S.N., E.S. Ilton, and S.C. Parker. 2006. "Molecular Dynamics Simulations of Electrolyte Solutions at the (100) Goethite Surface." Journal of Physical Chemistry B 110, no. 41:20491-20501. PNNL-SA-51008. doi:10.1021/jp0636569

2005

• Ilton E.S., A. Haiduc, C.L. Cahill, and A.R. Felmy. 2005. "Mica Surfaces Stabilize Pentavalent Uranium." Inorganic Chemistry 44, no. 9:2986-2988. PNNL-SA-42734.
• Ilton E.S., and P.S. Bagus. 2005. "Many-body Effects in the 4f X-ray Photoelectron Spectroscopy of the U5+ and U4+ Free Ions." Physical Review. B, Condensed Matter 71, no. 19:195121. PNNL-SA-43290. doi:10.1103/PhysRevB.71.195121
• Rosso K.M., and E.S. Ilton. 2005. "Effects of Compositional Defects on Small Polaron Hopping in Micas." Journal of Chemical Physics 122, no. 24:244709 (9 pages). PNNL-SA-43081.

2004

• Bagus P.S., E.S. Ilton, and J.R. Rustad. 2004. "Ligand-Field Effects for the 3p Photoelectron Spectra of Cr2O3." Physical Review. B, Condensed Matter and Materials Physics 69, no. 20:205112. PNNL-SA-39550.
• Bagus P.S., R. Broer, and E.S. Ilton. 2004. "A New Near Degeneracy Effect for Photoemission in Transition Metals." Chemical Physics Letters 394, no. 1-3:150-154. PNNL-SA-39923.
• Ilton E.S., A. Haiduc, C. Moses, S.M. Heald, D. Elbert, and D.R. Veblen. 2004. "Heterogeneous Reduction of Uranyl by Micas: Crystal Chemical and Solution Controls." Geochimica et Cosmochimica Acta 68, no. 11:2417-2435. PNNL-SA-38030.

2003

• Ilton E.S., W.A. De Jong, and P.S. Bagus. 2003. "Intra Atomic Many-Body Effects in P-shell Photoelectron Spectra of Cr3+ Ions." Physical Review. B, Condensed Matter and Materials Physics 68, no. 12:125106. PNNL-SA-39018.
• Rosso K.M., and E.S. Ilton. 2003. "Charge transport in micas: The kinetics of FeII/III electron transfer in the octahedral sheet." Journal of Chemical Physics 119, no. 17:9207-9218. PNNL-SA-39169.