Program Development Office Director
Physical & Computational Sciences
Program Development Office Director
Physical & Computational Sciences

Biography

Karl Mueller is a physical chemist who currently serves as Program Development Office Director of the Physical and Computational Sciences Directorate, as well as Sector Manager for the DOE Office of Science, Basic Energy Sciences, Chemical Sciences, Geosciences and Biosciences division. In these roles, he leads and advocates a science and technology vision that builds scientific reputation and provides technical integration to ensure regional, national, and international impact.

Dr. Mueller continues an active research agenda, focusing primarily on the development and utilization of solid-state nuclear magnetic resonance (NMR) techniques. His most recent studies are driven by outstanding and unresolved questions in materials and chemical sciences that require advanced characterization tools and multi-disciplinary/multi-modal approaches, including the use of AI/ML for materials discovery and development.  

Research Interest

  • Molecular-level and emergent details of fundamental reactions at electrochemical interfaces
  • Nucleation and self-assembly of hierarchical materials
  • Development of multi-scale and multi-model analysis tools

Education

  • Ph.D. University of California, Berkeley, Chemistry, 1991
  • Certificate of Post Graduate Studies, Churchill Scholar, Cambridge University, 1986
  • B.S. (summa cum laude) University of Rochester, Chemistry, 1985

Affiliations and Professional Service

  • American Association for the Advancement of Science
  • American Chemical Society
  • Materials Research Society
  • Electrochemical Society

Awards and Recognitions

  • Member of the Science Advisory Council for the Arnold and Mabel Beckman Foundation, 2015-present
  • Fellow of the Washington State Academy of Sciences, 2023
  • Fellow of the American Association for the Advancement of Science, 2012
  • University of Ottawa Varian Lecturer, 2007
  • Alfred P. Sloan Research Fellowship, 1999
  • Camille Dreyfus Teacher Scholar Award, 1997
  • Research Corporation Cottrell Scholar, 1996
  • Arnold and Mabel Beckman Foundation Young Investigator Award, 1996
  • National Science Foundation Young Investigator Award, 1994
  • Camille and Henry Dreyfus New Faculty Award, 1992
  • Member of external review panels for the National Science Foundation and U.S. Department of Energy

Publications

2025

  • Jin, B., Chen, Y., Pyles, H. et al. Formation, chemical evolution and solidification of the dense liquid phase of calcium (bi)carbonate. Nat. Mater. 24, 125–132 (2025). DOI: 10.1038/s41563-024-02025-5

2024

  • Amnon G. Ortoll-Bloch, Ying Chen, Emily Hiralal, Nancy M. Washton, Karl T. Mueller, James De Yoreo, Jinhui Tao, and Lara A. Estroff, Thermodynamic and Kinetic Modulation of Methylammonium Lead Bromide Crystallization Revealed by In Situ Monitoring, Crystal Growth & Design 2024 24 (12), 4955-4965. DOI: 10.1021/acs.cgd.4c00008
  • Chi Chen, Dan Thien Nguyen, Shannon J. Lee, Nathan A. Baker, Ajay S. Karakoti, Linda Lauw, Craig Owen, Karl T. Mueller, Brian A. Bilodeau, Vijayakumar Murugesan, and Matthias Troyer. Accelerating Computational Materials Discovery with Machine Learning and Cloud High-Performance Computing: from Large-Scale Screening to Experimental Validation. Journal of the American Chemical Society 2024 146 (29), 20009-20018. DOI: 10.1021/jacs.4c03849.
  • Dan-Thien Nguyen, Venkateshkumar Prabhakaran, Libor Kovarik, Grant Alexander, Jordi Cabana, Justin G. Connell, Jian Zhi Hu, Vaithiyalingam Shutthanandan, Bhuvaneswari Modachur Sivakumar, Karl T. Mueller, Vijayakumar Murugesan, Structural and chemical evolutions of a magnesium vanadium oxide cathode under electrochemical cycling in magnesium batteries, Nano Energy, Volume 128, Part B, 2024, 109939, ISSN 2211-2855, DOI: 10.1016/j.nanoen.2024.109939.
  • Shaw, W.J., Kidder, M.K., Bare, S.R. et al. A US perspective on closing the carbon cycle to defossilize difficult-to-electrify segments of our economy. Nat Rev Chem 8, 376–400 (2024). DOI: 10.1038/s41570-024-00587-1
  • Noh J, Job H, Doan H, Han KS, Robertson L, Zhang L, et al. Strategic Electrolyte Design to Address Solubility Competition between Redox-Active Molecules and Supporting Salts. ChemRxiv. 2024; doi:10.26434/chemrxiv-2024-4bgnd
  • Noh, J., Doan, H.A., Job, H. et al. An integrated high-throughput robotic platform and active learning approach for accelerated discovery of optimal electrolyte formulations. Nat Commun 15, 2757 (2024). DOI: 10.1038/s41467-024-47070-5
  • J. David Bazak, Karl T. Mueller, Vijayakumar Murugesan, “Battery detectives: Uncovering cathode impact on anode-free Li cell performance by operando NMR”, Chem, Volume 10, Issue 10, 2024, Pages 2935-2937, ISSN 2451-9294, DOI: 10.1016/j.chempr.2024.09.009
  • Y. Chen, R. Atwi, D. T. Nguyen, J. D. Bazak, N. T. Hahn, J. Ryu, J. A. Sears, K. S. Han, M. Song, Z. Li, A. J. Karkamkar, J. Z. Hu, K. R. Zavadil, N. N. Rajput, K. T. Mueller and V. Murugesan, "From Bulk to Interface: Solvent Exchange Dynamics and Their Role in Ion Transport and the Interfacial Model of Rechargeable Magnesium Batteries," Journal of the American Chemical Society 146, 12984-12999 (2024) DOI: 10.1021/jacs.3c13627
  • Z. Li, D.-T. Nguyen, J. D. Bazak, K. S. Han, Y. Chen, V. Prabhakaran, T. T. Le, Z. Cheng, M. Song, V. G. Pol, K. T. Mueller, V. Murugesan, Stable Cycling of Mg Metal Anodes by Regulating the Reactivity of Mg2+ Solvation Species. Adv. Energy Mater. 2024, 14, 2301544. DOI: 10.1002/aenm.202301544

2023

  • Y. Chen, J. Ryu, J. D. Bazak, D. T. Nguyen, K. S. Han, Z. Li, J. Z. Hu, K. T. Mueller and V. Murugesan, "Ion Solvation-Driven Liquid–Liquid Phase Separation in Divalent Electrolytes with Miscible Organic Solvents," The Journal of Physical Chemistry C 127, 15443-15453. (2023) DOI: 10.1021/acs.jpcc.3c01701
  • R. Di Felice, M. L. Mayes, R. M. Richard, D. B. Williams-Young, G. K.-L. Chan, W. A. de Jong, N. Govind, M. Head-Gordon, M. R. Hermes, K. Kowalski, X. Li, H. Lischka, K. T. Mueller, E. Mutlu, A. M. N. Niklasson, M. R. Pederson, B. Peng, R. Shepard, E. F. Valeev, M. van Schilfgaarde, B. Vlaisavljevich, T. L. Windus, S. S. Xantheas, X. Zhang and P. M. Zimmerman, "A Perspective on Sustainable Computational Chemistry Software Development and Integration," Journal of Chemical Theory and Computation 19, 7056-7076. (2023) DOI: 10.1021/acs.jctc.3c00419
  • H. Jeong, D.-T. Nguyen, Y. Yang, D. B. Buchholz, G. Evmenenko, J. Guo, F. Yang, P. C. Redfern, J. Z. Hu, K. T. Mueller, R. Klie, V. Murugesan, J. Connell, V. Prabhakaran and L. Cheng, "Electrolyte Reactivity on the MgV2O4 Cathode Surface," ACS Applied Materials & Interfaces 15, 48072-48084. (2023) DOI: 10.1021/acsami.3c07875
  • B. Jin, Y. Chen, J. Tao, K. J. Lachowski, M. E. Bowden, Z. Zhang, L. D. Pozzo, N. M. Washton, K. T. Mueller and J. J. De Yoreo, "Multi-Step Nucleation of a Crystalline Silicate Framework via a Structurally Precise Prenucleation Cluster," Angewandte Chemie International Edition 62, e202303770. (2023) DOI: 10.1002/anie.202303770
  • Z. Li, D.-T. Nguyen, J. D. Bazak, K. S. Han, Y. Chen, V. Prabhakaran, T. T. Le, Z. Cheng, M. Song, V. G. Pol, K. T. Mueller and V. Murugesan, "Stable Cycling of Mg Metal Anodes by Regulating the Reactivity of Mg2+ Solvation Species," Advanced Energy Materials 14, 2301544. (2024) DOI: 10.1002/aenm.202301544
  • J. Noh, H. A. Doan, H. Job, L. A. Robertson, L. Zhang, R. S. Assary, K. Mueller, V. Murugesan and Y. Liang, "An integrated high-throughput robotic platform and active learning approach for accelerated discovery of optimal electrolyte formulations," Nature Communications 15, 2757. (2024) DOI: 10.1038/s41467-024-47070-5
  • Y. Zhang, E. Carino, N. T. Hahn, N. Becknell, J. Mars, K. S. Han, K. T. Mueller, M. Toney, E. J. Maginn and S. Tepavcevic, "Understanding the Surprising Ionic Conductivity Maximum in Zn(TFSI)2 Water/Acetonitrile Mixture Electrolytes," The Journal of Physical Chemistry Letters 14, 11393-11399. (2023) DOI: 10.1021/acs.jpclett.3c03048
  • N.T. Hahn, E. P. Kamphaus, Y. Chen, V. Murugesan, K. T. Mueller, L. Cheng and K. R. Zavadil, "Magnesium Battery Electrolytes with Improved Oxidative Stability Enabled by Selective Solvation in Fluorinated Solvents." ACS Applied Energy Materials 6, 3264-3277. (2023) DOI:10.1021/acsaem.2c03836
  • V. Prabhakaran, G. Agarwal, J. D. Howard, S. Wi, V. Shutthanandan, D.-T. Nguyen, L. Soule, G. E. Johnson, Y.-S. Liu, F. Yang, X. Feng, J. Guo, K. Hankins, L. A. Curtiss, K. T. Mueller, R. S. Assary and V. Murugesan, "Coordination-Dependent Chemical Reactivity of TFSI Anions at a Mg Metal Interface." ACS Applied Materials & Interfaces 15, 7518-7528. (2023) DOI:10.1021/acsami.2c18477

2022

  • R. Atwi, Y. Chen, K. S. Han, K. T. Mueller, V. Murugesan and N. N. Rajput, "An Automated Framework for High-Throughput Predictions of NMR Chemical Shifts Within Liquid Solutions." Nature Computational Science 2, 112-122. (2022) DOI:10.1038/s43588-022-00200-9
  • J.Z. Hu, N. R. Jaegers, N. T. Hahn, W. Hu, K. S. Han, Y. Chen, J. A. Sears, V. Murugesan, K. R. Zavadil and K. T. Mueller, "Understanding the Solvation-Dependent Properties of Cyclic Ether Multivalent Electrolytes Using High-Field NMR and Quantum Chemistry." Journal of the American Chemical Society Au 2, 917-932. (2022) DOI:10.1021/jacsau.2c00046
  • L. Ma, T. P. Pollard, Y. Zhang, M. A. Schroeder, X. M. Ren, K. S. Han, M. S. Ding, A. V. Cresce, T. B. Atwater, J. Mars, L. S. Cao, H. G. Steinru, K. T. Mueller, M. F. Toney, M. Hourwitz, J. T. Fourkas, E. J. Maginn, C. S. Wang, O. Borodin and K. Xu, "Ammonium Enables Reversible Aqueous Zn Battery Chemistries by Tailoring the Interphase." One Earth 5, 413-421. (2022) DOI:10.1016/j.oneear.2022.03.012
  • G.R. Pastel, Y. Chen, T. P. Pollard, M. A. Schroeder, M. E. Bowden, A. E. Zheng, N. T. Hahn, L. Ma, V. Murugesan, J. Ho, M. Garaga, O. Borodin, K. Mueller, S. Greenbaum and K. Xu, "A Sobering Examination of the Feasibility of Aqueous Aluminum Batteries." Energy & Environmental Science 15, 2460-2469. (2022) DOI:10.1039/d2ee00134a
  • N.T. Hahn, J. Self, D.M. Driscoll, N. Dandu, K.S. Han, V. Murugesan, K.T. Mueller, L.A. Curtiss, M. Balasubramanian, K.A. Persson, and K.R. Zavadil, “Concentration-Dependent Ion Correlations Impact the Electrochemical Behavior of Calcium Battery Electrolytes.” Physical Chemistry Chemical Physics 24, 674–686. (2022) DOI:10.1039/D1CP04370F
  • Z. Yu, T.R. Juran, X. Liu, K.S. Han, H. Wang, K.T. Mueller, L. Ma, K. Xu, T. Li, L.A. Curtiss, and L. Cheng, “Solvation Structure and Dynamics of Mg(TFSI)­ Aqueous Electrolyte.” Energy & Environmental Materials. 5, 295–304. (2022) DOI: 10.1002/eem2.12174
  • J. Zhou, Y. Chen, Z. Yu, M. Bowden, Q. R. S. Miller, P. Chen, H.T. Schaef, K.T. Mueller, D. Lu, J. Xiao, J. Liu, W. Wang, and X. Zhang, “Wet-Chemical Synthesis of Li7P3S11 with Tailored Particle Size for Solid State Electrolytes.” Chemical Engineering Journal. 429, 132334. (2022) DOI:10.1016/j.cej.2021.132334

2021

  • G. Agarwal, J.D. Howard, V. Prabhakaran, G.E. Johnson, V. Murugesan, K.T. Mueller, L.A. Curtiss, and R.S. Assary, “Insights into Spontaneous Solid Electrolyte Interphase Formation at Magnesium Metal Anode Surface from Ab Initio Molecular Dynamics Simulations.” ACS Applied Materials & Interfaces. 13, 38816–38825. (2021). DOI:10.1021/acsami.1c07864
  • M. J. Baran, M.E. Carrington, S. Sahu, A. Baskin, J. Song, M.A. Baird, K.S. Han, K.T. Mueller, S.J. Teat, S.M. Meckler, C. Fu, D. Prendergast, and B.A. Helms, “Diversity-Oriented Synthesis of Polymer Membranes with Ion Solvation Cages.” Nature. 592, 225–231. (2021) DOI:10.1038/s41586-021-03377-7
  • Y. Chen, R. Atwi, K.S. Han, J. Ryu, N.M. Washton, J.Z. Hu, N.N. Rajput, K.T. Mueller, and V. Murugesan, “Role of a Multivalent Ion–Solvent Interaction on Restricted Mg2+ Diffusion in Dimethoxyethane Electrolytes.” The Journal of Physical Chemistry B. 125, 12574–12583. (2021) DOI:10.1021/acs.jpcb.1c08729
  • N.T. Hahn, J. Self, K.S. Han, V. Murugesan, K.T. Mueller, K.A. Persson, and K.R. Zavadil, “Quantifying Species Populations in Multivalent Borohydride Electrolytes.” The Journal of Physical Chemistry B.125, 3644–3652. (2021) DOI:10.1021/acs.jpcb.1c00263
  • K.S. Han, N.T. Hahn, K.R. Zavadil, N.R. Jaegers, Y. Chen, J.Z. Hu, V. Murugesan, and K.T. Mueller, “Factors Influencing Preferential Anion Interactions during Solvation of Multivalent Cations in Ethereal Solvents.” The Journal of Physical Chemistry C. 125, 6005–6012. (2021) DOI:10.1021/acs.jpcc.0c09830
  • K.S. Han, J.D. Bazak, Y. Chen, T.R. Graham, N.M. Washton, J.Z. Hu, V. Murugesan, and K.T. Mueller, “Pulsed Field Gradient Nuclear Magnetic Resonance and Diffusion Analysis in Battery Research.” Chemistry of Materials 33, 8562–8590. (2021) DOI:10.1021/acs.chemmater.1c02891
  • K. Hankins, V. Prabhakaran, S. Wi, V. Shutthanandan, G.E. Johnson, S. Roy, H. Wang, Y. Shao, S. Thevuthasan, P.B. Balbuena, K.T. Mueller, and V. Murugesan, “Role of Polysulfide Anions in Solid-Electrolyte Interphase Formation at the Lithium Metal Surface in Li–S Batteries.” The Journal of Physical Chemistry Letters 12, 9360–9367. (2021) DOI:10.1021/acs.jpclett.1c01930
  • H. Wan, J. Ryu, Y. Shao, V. Murugesan, K. Persson, K. Zavadil, K.T. Mueller, and J. Liu, “Advancing Electrolyte Solution Chemistry and Interfacial Electrochemistry of Divalent Metal Batteries.” ChemElectroChem. 8, 3013–3029. (2021) DOI:10.1002/celc.202100484
  • H. Wang, J. Ryu, S.A. McClary, D.M .Long, M. Zhou, M.H. Engelhard, L. Zou, J. Quinn, P. Kotula, K.S. Han, H. Jia, C. Wang, R.S. Assary, K.R. Zavadil, V. Murugesan, K.T. Mueller, and Y. Shao, “An Electrochemically Activated Nanofilm for Sustainable Mg Anode with Fast Charge Transfer Kinetics.” Journal of The Electrochemical Society 168, 120519. (2021) DOI:10.1149/1945-7111/ac3d2c

2020

  • L.W. Wangoh, Z. Yang, L. Wang, M.E. Bowden, X. Yin, ATS Wee, K.T. Mueller, V. Murugesan, and Y. Du, “Mg2+ Diffusion-Induced Structural and Property Evolution in Epitaxial Fe3O4 Thin Films.” ACS Nano. 14, 14887–14894. (2020) DOI:10.1021/acsnano.0c04025
  • H. Wang, Y. Shao, H. Pan, X. Feng, Y. Chen, Y. Liu, E.D. Walter, M. H. Engelhard, K. S. Han, T. Deng, G. Ren, D. Lu, X. Lu, W. Xu, C. Wang, J. Feng, K. T. Mueller, J. Guo, K. R. Zavadil, and J.-G. Zhang, "A Lithium-Sulfur Battery with a Solution-Mediated Pathway Operating Under Lean Electrolyte Conditions", Nano Energy 76 (2020). DOI:10.1016/j.nanoen.2020.105041
  • M.-S. Lee, K. S. Han, J. Lee, Y. Shin, T. C. Kaspar, Y. Chen, M. H. Engelhard, K. T. Mueller, and V. Murugesan, "Defect-Induced Anisotropic Surface Reactivity and Ion Transfer Processes of Anatase Nanoparticles", Materials Today Chemistry 17, 100290 (2020). DOI: 10.1016/j.mtchem.2020.100290
  • Y. Chen, N. R. Jaegers, H. Wang, K. S. Han, J. Z. Hu, K. T. Mueller, and V. Murugesan, “Role of Solvent Rearrangement on Mg2+ Solvation Structures in Dimethoxyethane Solutions using Multimodal NMR Analysis”, The Journal of Physical Chemistry Letters 11, 6443-6449 (2020). DOI: 10.1021/acs.jpclett.0c01447
  • L. Trahey, F. R. Brushett, N. P. Balsara, G. Ceder, L. Cheng, Y.-M. Chiang, N. T. Hahn, B. J. Ingram, S. D. Minteer, J. S. Moore, K. T. Mueller, L. F. Nazar, K. A. Persson, D. J. Siegel, K. Xu, K. R. Zavadil, V. Srinivasan, and G. W. Crabtree, “Energy Storage Emerging: A Perspective From the Joint Center For Energy Storage Research”, Proceedings of the National Academy of Sciences117, 12550-12557 (2020). DOI: 10.1073/pnas.1821672117
  • K. S. Han, Z. Yu, H. Wang, P. C. Redfern, L. Ma, L. Cheng, Y. Chen, J. Z. Hu, L. A. Curtiss, K.  Xu, V. Murugesan, and K. T. Mueller, “Origin of Unusual Acidity and Li+ Diffusivity in a Series of Water-in-Salt Electrolytes”, The Journal of Physical Chemistry B 124, 5284-5291 (2020). DOI: 10.1021/acs.jpcb.0c02483
  • Y. Chen, N. R. Jaegers, K. S. Han, H. Wang, R. P. Young, G. Agarwal, A. S. Lipton, R. S. Assary, N. M. Washton, J. Z. Hu, K. T. Mueller, and V. Murugesan, “Probing Conformational Evolution and Associated Dynamics of Mg(N(SO­CF3)2)2·Dimethoxyethane Adduct Using Solid-State 19F and 1H NMR”, The Journal of Physical Chemistry C 124, 4999-5008 (2020). DOI: 10.1021/acs.jpcc.9b10212
  • N. R. Jaegers, K. T. Mueller, Y. Wang, and J. Z. Hu, “Variable Temperature and Pressure Operando MAS NMR for Catalysis Science and Related Materials”, Accounts of Chemical Research 53, 611-619 (2020). DOI: 10.1021/acs.accounts.9b00557
  • H. Wang, X. Feng, Y. Chen, Y.-S. Liu, K. S. Han, M. Zhou, M. H. Engelhard, V. Murugesan, R. S. Assary, T. L. Liu, W. Henderson, Z. Nie, M. Gu, J. Xiao, C. Wang, K. Persson, D. Mei, J.-G. Zhang, K. T. Mueller, J. Guo, K. Zavadil, Y. Shao, and J. Liu, “Reversible Electrochemical Interface of Mg Metal and Conventional Electrolyte Enabled by Intermediate Adsorption”, ACS Energy Letters 5, 200-206, (2020). DOI: 10.1021 /acsenergylett.9b02211

2019

  • Y. Weng, B. Nagle, K. Mueller, and J. Catchmark, “The Formation of Gluconacetobacter Xylinum Cellulose Under the Influence of the Dye Brilliant Yellow”, Cellulose 26, 9373–9386, (2019). DOI: 10.1007/s10570-019-02651-2
  • H. S. Mehta, Y. Chen, J. A. Sears, E. D. Walter, M. Campos, J. Kothandaraman, D. J. Heldebrant, D. W. Hoyt, K. T. Mueller, and N. M. Washton, "A Novel High-Temperature MAS Probe with Optimized Temperature Gradient Across Sample Rotor for In-Situ Monitoring of High-Temperature High-Pressure Chemical Reactions", Solid State Nuclear Magnetic Resonance 102, 31-35 (2019). DOI: 10.1016/j.ssnmr.2019.06.003
  • J. Z. Hu, N. R. Jaegers, Y. Chen, K. S. Han, H. Wang, V. Murugesan, and K. T. Mueller, “Adsorption and Thermal Decomposition of Electrolytes on Nanometer Magnesium Oxide: An in Situ 13C MAS NMR Study”, ACS Applied Materials & Interfaces 11, 38689-38696, (2019). DOI: 10.1021/acsami.9b11888
  • N. R. Jaegers, J.-K. Lai, Y. He, E. Walter, D. A. Dixon, M. Vasiliu, Y. Chen, C. Wang, M. Y. Hu, K. T. Mueller, I. E. Wachs, Y. Wang, and J. Z. Hu, “Mechanism by which Tungsten Oxide Promotes the Activity of Supported V2O5 /TiO2 Catalysts for NOX Abatement: Structural Effects Revealed by 51V MAS NMR Spectroscopy”, Angewandte Chemie 131, 12739-12746 (2019). DOI: 10.1002/ange.201904503
  • E. P. Kamphaus, S. Angarita-Gomez, X. Qin, M. Shao, M. Engelhard, K. T. Mueller, V. Murugesan, and P. B. Balbuena, “Role of Inorganic Surface Layer on Solid Electrolyte Interphase Evolution at Li-Metal Anodes”, ACS Applied Materials & Interfaces 11, 31467-31476 (2019). DOI: 10.1021/acsami.9b07587
  • S. K. Park, K. S. Han, J. H. Lee, V. Murugesan, S. H. Lee, C. M. Koo, J. S. Lee, and K. T. Mueller, “Evolution of Ion–Ion Interactions and Structures in Smectic Ionic Liquid Crystals”, The Journal of Physical Chemistry C 123, 20547-20557 (2019). DOI: 10.1021/acs.jpcc.9b04056
  • Y. Li, I. A. Murphy, Y. Chen, F. Li, X. Wang, S. Wang, D. Hubble, S.-H. Jang, K. T. Mueller, C. Wang, A. K.-Y. Jen, and J. Yang, "A Multi-Functional Interface Derived from Thiol-Modified Mesoporous Carbon in Lithium–Sulfur Batteries", Journal of Materials Chemistry A 7, 13372-13381 (2019). DOI: 10.1039/c9ta02743b
  • A. Andersen, N. N. Rajput, K. S. Han, H. Pan, N. Govind, K. A. Persson, K. T. Mueller, and V. Murugesan, “Structure and Dynamics of Polysulfide Clusters in a Nonaqueous Solvent Mixture of 1, 3-Dioxolane and 1, 2-Dimethoxyethane”, Chemistry of Materials 31, 2308–2319 (2019). DOI: 10.1021/acs.chemmater.8b03944
  • Y. Chen, N. M. Washton, R. P. Young, A. J. Karkamkar, J. J. De Yoreo, and K. T. Mueller, “Monitoring Solvent Dynamics and Ion Associations in the Formation of Cubic Octamer Polyanion in Tetramethylammonium Silicate Solutions”, Physical Chemistry Chemical Physics 21, 4717-4720, (2019). DOI: 10.1039/C8CP07521B

2018

  • B. W. Xiao, F. A. Soto, M. Gu, K. S. Han, J. H. Song, H. Wang, M. H. Engelhard, V. Murugesan, K. T. Mueller, D. Reed, V. L. Sprenkle, P. B. Balbuena, and X. L. Li, “Lithium-Pretreated Hard Carbon as High-Performance Sodium-Ion Battery Anodes”, Advanced Energy Materials 8, 1801441 (2018). DOI: 10.1002/aenm.201801441.
  • H. L. Pan, K. S. Han, M. H. Engelhard, R. G. Cao, J. Z. Chen, J-G. Zhang, K. T. Mueller, Y. Y. Shao, and J. Liu, “Addressing Passivation in Lithium-Sulfur Battery Under Lean Electrolyte Condition”, Advanced Functional Materials 28, 1707234 (2018). DOI: 10.1002/adfm.201707234 
  • J. Z. Hu, N. R. Jaegers, M. Y. Hu, and K. T. Mueller, “In Situ and Ex Situ NMR for Battery Research”, Journal of Physics-Condensed Matter 30, 463001 (2018). DOI: 10.1088/1361-648X/aae5b8 
  • J. Z. Hu, N. N. Rajput, C. Wan, Y. Shao, X. Deng, N. R. Jaegers, M. Hu, Y. Chen, Y. Shin, J. Monk, Z. Chen, Z. Qin, K. T. Mueller, J. Liu, and K. A. Persson, “25Mg NMR and Computational Modeling Studies of the Solvation Structures and Molecular Dynamics in Magnesium Based Liquid Electrolytes”, Nano Energy 46, 436-446 (2018). DOI: 10.1016/j.nanoen.2018.01.051
  • Perdrial N., A. Vazquez-Ortega, G. Wang, M. Kanematsu, K.T. Mueller, W. Um, and C.I. Steefel, et al. 2018. "Uranium speciation in acid waste-weathered sediments: The role of aging and phosphate amendments." Applied Geochemistry 89. PNNL-SA-133858. doi:10.1016/j.apgeochem.2017.12.001
  • Sihvonen S.K., K.A. Murphy, N.M. Washton, M. Altaf, K.T. Mueller, and M.A. Freedman. 2018. "Effect of Acid on Surface Hydroxyl Groups on Kaolinite and Montmorillonite." Zeitschrift fur Physikalische Chemie--International Journal of Research in Physical Chemistry and Chemical Physics 232, no. 3:409-430. PNNL-SA-117605. doi:10.1515/zpch-2016-0958

2017

  • Adams B., E.V. Carino, J.G. Connell, K. Han, R. Cao, J. Chen, and J. Zheng, et al. 2017. "Long term stability of Li-S batteries using high concentration lithium nitrate electrolytes." Nano Energy 40. PNNL-SA-124786. doi:10.1016/j.nanoen.2017.09.015
  • Brozek E.M., N.M. Washton, K.T. Mueller, and I. Zharov. 2017. "Silsesquioxane Nanoparticles With Reactive Internal Functional Groups." Journal of Nanoparticle Research 19, no. 2:Article No. 85. PNNL-SA-124400. doi:10.1007/s11051-017-3771-4
  • Butler M., H.S. Mehta, Y. Chen, P.N. Reardon, R.S. Renslow, M. Khbeis, and D. Irish, et al. 2017. "Toward high-resolution NMR spectroscopy of microscopic liquid samples." Physical Chemistry Chemical Physics. PCCP 19, no. 22:14256-14261. PNNL-SA-126952. doi:10.1039/c7cp01933e
  • Chen J., W.A. Henderson, H. Pan, B.R. Perdue, R. Cao, J.Z. Hu, and C. Wan, et al. 2017. "Improving Lithium-sulfur Battery Performance under Lean Electrolyte through Nanoscale Confinement in Soft Swellable Gels." Nano Letters 17, no. 5:3061-3067. PNNL-SA-121812. doi:10.1021/acs.nanolett.7b00417
  • Chen Y., H.S. Mehta, M. Butler, E.D. Walter, P.N. Reardon, R.S. Renslow, and K.T. Mueller, et al. 2017. "High-Resolution Microstrip NMR Detectors for Subnanoliter Samples." Physical Chemistry Chemical Physics. PCCP 19, no. 41:28163-28174. PNNL-SA-126953. doi:10.1039/c7cp03933f
  • Han K., J. Chen, R. Cao, N. Rajput, V. Murugesan, L. Shi, and H. Pan, et al. 2017. "Effects of Anion Mobility on Electrochemical Behaviors of Lithium-Sulfur Batteries." Chemistry of Materials 29, no. 21:9023-9029. PNNL-SA-129332. doi:10.1021/acs.chemmater.7b02105
  • Murugesan V., K. Han, J. Hu, and K.T. Mueller. 2017. "Molecular Level Structure and Dynamics of Electrolytes Using 17O Nuclear Magnetic Resonance Spectroscopy." eMagRes6, no. 1:71-82. PNNL-SA-128311. doi:10.1002/9780470034590.emrstm1529
  • Nandasiri M.I., L.E. Camacho-Forero, A.M. Schwarz, V. Shutthanandan, S. Thevuthasan, P.B. Balbuena, and K.T. Mueller, et al. 2017. "In-situ chemical imaging of Solid-Electrolyte Interphase layer evolution in Li-S batteries." Chemistry of Materials 29, no. 11:4728-4737. PNNL-SA-123618. doi:10.1021/acs.chemmater.7b00374
  • Ok S., D.W. Hoyt, A. Andersen, J. Sheets, S. Welch, D.R. Cole, and K.T. Mueller, et al. 2017. "Surface Interactions and Confinement of Methane: A High Pressure Magic Angle Spinning NMR and Computational Chemistry Study." Langmuir 33, no. 6:1359-1367. PNNL-SA-123185. doi:10.1021/acs.langmuir.6b03590
  • Pan H., J. Chen, R. Cao, V. Murugesan, N. Rajput, K. Han, and K.A. Persson, et al. 2017. "Non Encapsulation Approach for High Performance Li-S Batteries through Controlled Nucleation and Growth." Nature Energy 2. PNNL-SA-123317. doi:10.1038/s41560-017-0005-z
  • Pan H., K. Han, M. Vijayakumar, J. Xiao, R. Cao, J. Chen, and J. Zhang, et al. 2017. "Ammonium additives to dissolve lithium sulfide through hydrogen binding for high energy lithium-sulfur batteries." ACS Applied Materials & Interfaces 9, no. 5:4290-4295. PNNL-SA-116549. doi:10.1021/acsami.6b04158
  • Rajput N., V. Murugesan, Y. Shin, K. Han, K. Lau, J. Chen, and J. Liu, et al. 2017. "Elucidating the Solvation Structure and Dynamics of Lithium Polysulfides resulting from Competitive Salt and Solvent Interactions." Chemistry of Materials 29, no. 8:3375-3379. PNNL-SA-125254. doi:10.1021/acs.chemmater.7b00068
  • Wan C., S. Xu, M.Y. Hu, R. Cao, J. Qian, Z. Qin, and J. Liu, et al. 2017. "Multinuclear NMR Study of the Solid Electrolyte Interface Formed in Lithium Metal Batteries." ACS Applied Materials & Interfaces 9, no. 17:14741-14748. PNNL-SA-122289. doi:10.1021/acsami.6b15383

2016

  • Cao R., J. Chen, K. Han, W. Xu, D. Mei, P. Bhattacharya, and M.H. Engelhard, et al. 2016. "Effect of the Anion Activity on the Stability of Li Metal Anodes in Lithium-Sulfur Batteries." Advanced Functional Materials 26, no. 18:3059-3066. PNNL-SA-114711. doi:10.1002/adfm.201505074
  • Cao R., K. Mushra, X. Li, J. Qian, M.H. Engelhard, M.E. Bowden, and K. Han, et al. 2016. "Enabling room temperature sodium metal batteries." Nano Energy 30. PNNL-SA-118713. doi:10.1016/j.nanoen.2016.09.013
  • Chen J., K. Han, W.A. Henderson, K. Lau, M. Vijayakumar, T. Dzwiniel, and H. Pan, et al. 2016. "Restricting the Solubility of Polysulfides in Li-S Batteries Via Electrolyte Salt Selection." Advanced Energy Materials 6, no. 11:Article No. 1600160. PNNL-SA-113496. doi:10.1002/aenm.201600160
  • Cheng Y., D. Choi, K. Han, K.T. Mueller, J. Zhang, V.L. Sprenkle, and J. Liu, et al. 2016. "Toward the Design of High Voltage Magnesium-Lithium Hybrid Batteries Using Dual-Salt Electrolytes." Chemical Communications 52, no. 31:5379-5382. PNNL-SA-115745. doi:10.1039/C6CC00986G
  • Cheng Y., Y. Shao, V. Raju, X. Ji, B.L. Mehdi, K. Han, and M.H. Engelhard, et al. 2016. "Molecular Storage of Mg Ions with Vanadium Oxide Nanoclusters." Advanced Functional Materials 26, no. 20:3446-3453. PNNL-SA-114521. doi:10.1002/adfm.201505501
  • Deng X., M.Y. Hu, X. Wei, W. Wang, K.T. Mueller, Z. Chen, and J.Z. Hu. 2016. "Nuclear Magnetic Resonance Studies of the Solvation Structures of a High-Performance Nonaqueous Redox Flow Electrolyte." Journal of Power Sources 308. PNNL-SA-113232. doi:10.1016/j.jpowsour.2015.12.005
  • Han K., N. Rajput, M. Vijayakumar, X. Wei, W. Wang, J.Z. Hu, and K.A. Persson, et al. 2016. "Preferential Solvation of an Asymmetric Redox Molecule." Journal of Physical Chemistry C120, no. 49:27834-27839. PNNL-SA-113547. doi:10.1021/acs.jpcc.6b09114
  • Lee J., K. Han, J. Lee, A.S. Lee, S. Park, S. Hong, and J. Lee, et al. 2016. "Facilitated Ion Transport in Smectic Ordered Ionic Liquid Crystals." Advanced Materials 28, no. 42:9301-9307. PNNL-SA-121031. doi:10.1002/adma.201602702
  • Mehdi B.L., A.J. Stevens, J. Qian, C. Park, W. Xu, W.A. Henderson, and J. Zhang, et al. 2016. "The Impact of Li Grain Size on Coulombic Efficiency in Li Batteries." Scientific Reports 6. PNNL-SA-120401. doi:10.1038/srep34267
  • Pan H., Y. Shao, P. Yan, Y. Cheng, K. Han, Z. Nie, and C.M. Wang, et al. 2016. "Reversible aqueous zinc/manganese oxide energy storage from conversion reactions." Nature Energy 1, no. 5:Article No. 16039. PNNL-SA-111263. doi:10.1038/nenergy.2016.39

2015

  • Cheng Y., R.M. Stolley, K. Han, Y. Shao, B.W. Arey, N.M. Washton, and K.T. Mueller, et al. 2015. "Highly Active Electrolytes for Rechargeable Mg Batteries Based on [Mg2(µ-Cl)2]2+ Cation Complex in Dimethoxyethane." Physical Chemistry Chemical Physics. PCCP 17, no. 20:13307-13314. PNNL-SA-106553. doi:10.1039/C5CP00859J
  • Kerisit S.N., M. Vijayakumar, K. Han, and K.T. Mueller. 2015. "Solvation structure and transport properties of alkali cations in dimethyl sulfoxide under exogenous static electric fields." Journal of Chemical Physics 142, no. 22:224502. PNNL-SA-108842. doi:10.1063/1.4921982
  • Mehdi B.L., J. Qian, E. Nasybulin, C. Park, D.A. Welch, R. Faller, and H.S. Mehta, et al. 2015. "Observation and Quantification of Nanoscale Processes in Lithium Batteries by Operando Electrochemical (S)TEM." Nano Letters 15, no. 3:2168-2176. PNNL-SA-107504. doi:10.1021/acs.nanolett.5b00175
  • Mehdi B.L., J. Qian, E. Nasybulin, D.A. Welch, C. Park, R. Faller, and H.S. Mehta, et al. 2015. "Quantification of Electrochemical Nanoscale Processes in Lithium Batteries By OperandoEC-(S)TEM." In ECS Conference on Electrochemical Energy Conversion & Storage with SOFC-XIV, July 26-31, 2015, Glasgow, Scotland, MA2015-03, Abstract No. 432. Pennington, New Jersey:The Electrochemical Society. PNNL-SA-111760.

2014

  • Han K., N. Rajput, X. Wei, W. Wang, J.Z. Hu, K.A. Persson, and K.T. Mueller. 2014. "Diffusional Motion of Redox Centers in Carbonate Electrolytes." Journal of Chemical Physics141, no. 10:104509. PNNL-SA-103453. doi:10.1063/1.4894481
  • Mueller K.T., R.L. Sanders, and N.M. Washton. 2014. "Clay Minerals." In eMagRes, edited by R Wasylishen, DM Grant and RK Harris. 13-28. Hoboken, New Jersey:Wiley Interscience. PNNL-SA-101698.
  • Renslow R.S., J.T. Babauta, P.D. Majors, H.S. Mehta, R. Ewing, T. Ewing, and K.T. Mueller, et al. 2014. "A biofilm microreactor system for simultaneous electrochemical and nuclear magnetic resonance techniques." Water Science and Technology 69, no. 5:966-973. PNNL-SA-94214. doi:10.2166/wst.2013.802
  • Shao Y., N. Rajput, J.Z. Hu, M.Y. Hu, T.L. Liu, Z. Wei, and M. Gu, et al. 2014. "Nanocomposite polymer electrolyte for rechargeable magnesium batteries." Nano Energy 2015, no. 12:750-759. PNNL-SA-103424. doi:10.1016/j.nanoen.2014.12.028

2013

  • Baer D.R., M.H. Engelhard, G.E. Johnson, J. Laskin, J. Lai, K.T. Mueller, and P. Munusamy, et al. 2013. "Surface Characterization of Nanomaterials and Nanoparticles: important needs and challenging opportunities." Journal of Vacuum Science and Technology A--Vacuum, Surfaces and Films 31, no. 5:Article No. 050820. PNNL-SA-95071. doi:10.1116/1.4818423
  • Gin S., A. Abdelouas, L.J. Criscenti, W.L. Ebert, K. Ferrand, T. Geisler, and M.T. Harrison, et al. 2013. "An international initiative on long-term behavior of high-level nuclear waste glass." Materials Today 16, no. 6:243-248. PNNL-SA-97248. doi:10.1016/j.mattod.2013.06.008
  • Mueller K.T., M. Pruski, N.M. Washton, and A.S. Lipton. 2013. Science Drivers and Technical Challenges for Advanced Magnetic Resonance. PNNL-22294. Richland, WA: Pacific Northwest National Laboratory.
  • Murphy K.A., N.M. Washton, J.V. Ryan, C.G. Pantano, and K.T. Mueller. 2013. "Solid-State NMR Examination of Alteration Layers on a Nuclear Waste Glasses." Journal of Non-crystalline Solids 369. PNNL-SA-92731. doi:10.1016/j.jnoncrysol.2013.03.021
  • Reardon P.N., and K.T. Mueller. 2013. "Structure of the Type IVa Major Pilin from the Electrically Conductive Bacterial Nanowires of Geobacter sulfurreducens." Journal of Biological Chemistry 288, no. 41:29260-29266. PNNL-SA-95250. doi:10.1074/jbc.M113.498527
  • Roach D.J., S. Dou, R.H. Colby, and K.T. Mueller. 2013. "Solid State Nuclear Magnetic Resonance Investigation of Polymer Backbone Dynamics in Poly(Ethylene Oxide) Based Lithium and Sodium Polyether-ester-sulfonate Ionomers." Journal of Chemical Physics 138, no. 19:Article No. 194907. PNNL-SA-95412. doi:10.1063/1.4804654

2012

  • Roach D.J., S. Dou, R.H. Colby, and K.T. Mueller. 2012. "Nuclear Magnetic Resonance Investigation of Dynamics in Poly(Ethylene Oxide) Based Lithium Polyether-ester-sulfonate Ionomers." Journal of Chemical Physics 136, no. 1:Article No. 014510. PNNL-SA-81278. doi:10.1063/1.3669449
  • Sanders R.L., N.M. Washton, and K.T. Mueller. 2012. "Atomic-level studies of the depletion in reactive sites during clay mineral dissolution." Geochimica et Cosmochimica Acta 92. PNNL-SA-76711. doi:10.1016/j.gca.2012.05.038

2011

  • Ahring B.K., N.S. Baliga, J.R. Frederickson, S. Kaplan, H.B. Pakrasi, J.G. Pounds, and I. shah, et al. 2011. Biological Interactions and Dynamics Science Theme Advisory Panel (BID-STAP). PNNL-20717. Richland, WA: Pacific Northwest National Laboratory.
  • Brown G.E., A. Chaka, D.K. Shuh, E.E. Roden, C.J. Werth, N.J. Hess, and A.R. Felmy, et al. 2011. EMSL Geochemistry, Biogeochemistry and Subsurface Science-Science Theme Advisory Panel Meeting. PNNL-20601. Richland, WA: Pacific Northwest National Laboratory.
  • Campbell C.T., A.K. Datye, G.A. Henkelman, R.F. Lobo, W.F. Schneider, L.D. Spicer, and W.T. Tysoe, et al. 2011. EMSL and Institute for Integrated Catalysis (IIC) Catalysis Workshop. PNNL-20426. Richland, WA: Pacific Northwest National Laboratory.
  • Strachan D.M., E.C. Buck, K.T. Mueller, J.M. Schwantes, M.J. Olszta, S. Thevuthasan, and R.M. Heeren. 2011. Analytical Plan for Roman Glasses. PNNL-20204. Richland, WA: Pacific Northwest National Laboratory.

2010

  • Davis M.C., W.J. Brouwer, A.S. Lipton, Z. Gan, and K.T. Mueller. 2010. "Characterization of cation environments in polycrystalline forsterite by Mg-25 MAS, MQMAS, and QCPMG NMR." The American Mineralogist 95, no. 11-12:1601-1607. PNNL-SA-75288. doi:10.2138/am.2010.3403

2009

  • Davis M.C., W.J. Brouwer, D.J. Wesolowski, L.M. Anovitz, A.S. Lipton, and K.T. Mueller. 2009. "Magnesium Silicate Dissolution Investigated by 29Si MAS, 1H-29Si CP MAS, 25Mg QCPMG, and 1H-25Mg CP QCPMG NMR." Physical Chemistry Chemical Physics. PCCP 11, no. 32:7013-7021. PNNL-SA-65992. doi:10.1039/b907494e

2008

  • Chorover J., S. Choi, P. Rotenberg, R.J. Serne, N. Rivera, C.R. Strepka, and A. Thompson, et al. 2008. "Silicon control of strontium and cesium partitioning in hydroxide-weathered sediments." Geochimica et Cosmochimica Acta 72, no. 8:2024-2047. PNNL-SA-53078. doi:10.1016/j.gca.2008.01.026
  • Chorover J., S. Choi, P. Rotenberg, R.J. Serne, N. Rivera, C.R. Strepka, and A. Thompson, et al. 2008. "Silicon Control of Strontium and Cesium Partitioning in Hydroxide-Weathered Sediments." Geochimica et Cosmochimica Acta 72, no. 8:2024-2047. PNNL-SA-60417.

2007

  • Bowers G.M., M.C. Davis, R. Ravella, S. Komarneni, and K.T. Mueller. 2007. "NMR Studies of Heat-Induced Transitions in Structure and Cation Binding Environments of a Strontium-Saturated Swelling Mica." Applied Magnetic Resonance 32, no. 4:595-612. doi:10.1007/s00723-007-0042-z

2006

  • Bowers G.M., A.S. Lipton, and K.T. Mueller. 2006. "High-field QCPMG NMR of Strontium Nuclei in Natural Minerals." Solid State Nuclear Magnetic Resonance 29, no. 1-3:95-103. PNNL-SA-46703.
  • Bowers G.M., R. Ravella, S. Komarneni, and K.T. Mueller. 2006. "NMR Study of Strontium Binding by a Micaceous Mineral." Journal of Physical Chemistry B 110, no. 14:7159-7164.
  • Crosson G.S., S. Choi, J. Chorover, M.K. Amistadi, P.A. O'Day, and K.T. Mueller. 2006. "Solid-State NMR Identification and Quantification of Newly Formed Aluminosilicate Phases in Weathered Kaolinite Systems." Journal of Physical Chemistry B 110, no. 2:723-732.

2005

  • Choi S., G.S. Crosson, K.T. Mueller, s. seraphin, and J. Chorover. 2005. "Clay mineral weathering and contaminant dynamics in a casutic aqueous sytem II. Mineral transformation and microscale partitioning." Geochimica et Cosmochimica Acta 69, no. 18:4437-4451. doi:10.1016/j/gvs/2005.04.004