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RESEARCH PAPER · Journal of Materials Chemistry A · 2024

Isovalent substitution modulates average and short-range structure in disordered rocksalt oxides

John D. Langhout, Elizabeth Gager, Talianna Ulloa, Shane Shepard, Juan C. Nino, Megan M. Butala

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Open in your workspace →Saved 2026-10-14 · complete coverage
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Isovalent substitution modulates average and short-range structure in disordered rocksalt oxidesOriginalOptimized amounts of excess Li in cation-disordered rocksalt cathodes assisted by carbon nanotubes8Mo-substitution in V2O5 tunes the structure towards three-dimensional connectivity and improves Li-ion battery cycling5Influence of Ion Size on Structure and Redox Chemistry in Na‐Rich and Li‐Rich Disordered Rocksalt Battery Cathodes7Impact of the d 0 transition metal on local structural transformations in disordered rock salt cathodes7Predicting Short-Range Order in Disordered Rocksalt Li-Oxide Cathode Materials with Density Functional Theory and Crystal Graph Neural Networks2Chemical Characteristics Driving Formability in Li-Excess Disordered Rocksalt Cathodes0

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  1. Optimized amounts of excess Li in cation-disordered rocksalt cathodes assisted by carbon nanotubes

    Journal of Materials Chemistry A · 2025-01-01

    Hyeonji Jeong, Junyoung Lee, Keun Hwa Chae, Sungjun Kwak, Young-Ho Lee, Dae Hong Jeong, Sang Mun Jeong, Ayeong Byeon

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  2. Mo-substitution in V2O5 tunes the structure towards three-dimensional connectivity and improves Li-ion battery cycling

    Journal of Physics Materials · 2025-04-01

    Kausturi Parui, B. Gardner, Kathryn A. Pitton, Noah Caracuel, Emily Vidal-Torres, Shornam Gandhi, Beth S. Guiton, Juan C. Nino, Megan M. Butala

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  3. Influence of Ion Size on Structure and Redox Chemistry in Na‐Rich and Li‐Rich Disordered Rocksalt Battery Cathodes

    Advanced Materials · 2025-05-30

    Nicole C. Mitchell, Oliver O. Thomas, Benjamin Meyer, Mirian García‐Fernández, Ke‐Jin Zhou, Patrick S. Grant, Peter George Bruce, Richard John Heap, Ruth Sayers, Robert Alexander House

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  4. Impact of the d 0 transition metal on local structural transformations in disordered rock salt cathodes

    Chemical Science · 2025-11-06

    Tianyu Li, Otávio José Bandeira Jovino Marques, Tullio Salvatore Geraci, Erick A. Lawrence, Arava Zohar, Jue Liu, Evans Avoka, Alexandra Navrotsky, Johanna Nelson Weker, Raphaële J. Clément

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  5. Predicting Short-Range Order in Disordered Rocksalt Li-Oxide Cathode Materials with Density Functional Theory and Crystal Graph Neural Networks

    ACS Applied Energy Materials · 2026-03-17

    R. Seaton Ullberg, John D. Langhout, Megan M. Butala, Simon Robert Phillpot

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  6. Chemical Characteristics Driving Formability in Li-Excess Disordered Rocksalt Cathodes

    Chemistry of Materials · 2026-10-06

    John D. Langhout, Jennifer A. Perez, Adam A. Corrao, Joyce Kim, Nicole Vlahos, Jason Jaquith, Kyle Schipf, Ella B. Rigdon, Ayden B. Israel, Juan C. Nino, Daniel Olds, Megan M. Butala

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