Kristin A Persson
Publications
Viewing 25 of 178 publications
2018
Electrostatic Estimation of Intercalant Jump-Diffusion Barriers Using Finite-Size Ion Models." The Journal of Physical Chemistry Letters 9.3 (2018) 628–634.
, , , , , , and . "Oxidation Protection with Amorphous Surface Oxides: Thermodynamic Insights from Ab Initio Simulations on Aluminum." ACS Applied Materials & Interfaces 10.3 (2018) 3039–3045.
, and . "2017
Discovery and Characterization of a Pourbaix-Stable, 1.8 eV Direct Gap Bismuth Manganate Photoanode." Chemistry of Materials 29.23 (2017) 10027–10036.
, , , , , , , , , , , , and . "Electrochemical Stability of Metastable Materials." Chemistry of Materials 29.23 (2017) 10159–10167.
, , , , , , , and . "Non-encapsulation approach for high-performance Li–S batteries through controlled nucleation and growth." Nature Energy 2.10 (2017) 813–820.
, , , , , , , , , , , , , and . "Effects of Anion Mobility on Electrochemical Behaviors of Lithium–Sulfur Batteries." Chemistry of Materials 29.21 (2017) 9023–9029.
, , , , , , , , , , and . "Discovery of Manganese-Based Solar Fuel Photoanodes via Integration of Electronic Structure Calculations, Pourbaix Stability Modeling, and High-Throughput Experiments." ACS Energy Letters 2.10 (2017) 2307–2312.
, , , , , , , , and . "Computational prediction of new auxetic materials." Nature Communications 8.1 (2017).
, , , and . "Atomate: A high-level interface to generate, execute, and analyze computational materials science workflows." Computational Materials Science 139 (2017) 140–152.
, , , , , , , , , , , , , , , , and . "Computational Design of New Magnesium Electrolytes with Improved Properties." The Journal of Physical Chemistry C 121.30 (2017) 16126–16136.
, , , , , and . "Fast Mg 2+ diffusion in Mo 3 (PO 4 ) 3 O for Mg batteries." Chemical Communications 53.57 (2017) 7998–8001.
, , , , , , , and . "Group additivity-Pourbaix diagrams advocate thermodynamically stable nanoscale clusters in aqueous environments." Nature Communications 8.1 (2017).
, , , , , , and . "Materials Genomics Screens for Adaptive Ion Transport Behavior by Redox-Switchable Microporous Polymer Membranes in Lithium–Sulfur Batteries." ACS Central Science 3.5 (2017) 399–406.
, , , , , , and . "Elucidating the Solvation Structure and Dynamics of Lithium Polysulfides Resulting from Competitive Salt and Solvent Interactions." Chemistry of Materials 29.8 (2017) 3375–3379.
, , , , , , , , , and . "A high-throughput framework for determining adsorption energies on solid surfaces." npj Computational Materials 3.1 (2017).
, and . "Fulfilling the promise of the materials genome initiative with high-throughput experimental methodologies." Applied Physics Reviews 4.1 (2017) 011105.
, , , , , , , , , , , , , , , , and . "Solar fuels photoanode materials discovery by integrating high-throughput theory and experiment." Proceedings of the National Academy of Sciences 114.12 (2017) 3040–3043.
, , , , , , , , , , and . "Odyssey of Multivalent Cathode Materials: Open Questions and Future Challenges." Chemical Reviews 117.5 (2017) 4287–4341.
, , , , , , , and . "Effective mass and Fermi surface complexity factor from ab initio band structure calculations." npj Computational Materials 3.1 (2017).
, , , , , , , , and . "Investigating the Intercalation Chemistry of Alkali Ions in Fluoride Perovskites." Chemistry of Materials 29.4 (2017) 1561–1568.
, , , , , , , , , and . "High-throughput screening of inorganic compounds for the discovery of novel dielectric and optical materials." Scientific Data 4.1 (2017).
, , , , , , , , , and . "2016
Predicting defect behavior in B2 intermetallics by merging ab initio modeling and machine learning." npj Computational Materials 2.1 (2016).
, , , , , , , and . "Concentration dependent electrochemical properties and structural analysis of a simple magnesium electrolyte: magnesium bis(trifluoromethane sulfonyl)imide in diglyme." RSC Advances 6.114 (2016) 113663–113670.
, , , , , , , , and . "Preferential Solvation of an Asymmetric Redox Molecule." The Journal of Physical Chemistry C 120.49 (2016) 27834–27839.
, , , , , , , and . "The thermodynamic scale of inorganic crystalline metastability." Science Advances 2.11 (2016) e1600225.
, , , , , , , , and . "