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RESEARCH PAPER · Inorganic Chemistry · 2023

Chemical and Structural Factors Affecting the Stability of Wadsley–Roth Block Phases

Muna Saber, Colleen Reynolds, Jonathan Li, Tresa M. Pollock, Anton Van der Ven

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Chemical and Structural Factors Affecting the Stability of Wadsley–Roth Block PhasesOriginalRedox Mechanisms, Structural Changes, and Electrochemistry of the Wadsley–Roth Li x TiNb 2 O 7 Electrode Material20Carbon coated and oxygen vacancies incorporated Wadsley-Roth phase molybdenum niobium oxide for high-performance lithium-ion storage4Redox Mechanisms upon the Lithiation of Wadsley–Roth Phases10Effect of Intermediate-Range Structure on Negative Electrode Properties of Wadsley–Roth Phase Ti2Nb10O296Relationship between network topology and negative electrode properties in Wadsley–Roth phase TiNb2O78Tailored TiNb2O7 Particle Size, Defects, and Crystallinity Accelerate Lithiation12Typical structures and thermal expansion coefficients of ABO4-type (A=Ga, In, Cr; B=Nb, Ta) oxides as EBC candidates9Investigating Lithium Ordering and Electronic Evolutions in Wadsley–Roth Phases8Effects of Metal Composition and Preparation Process on Negative Electrode Properties and Crystal Structure of Ga-Substituted TiNb2O72Graph representation of local environments for learning high-entropy alloy properties4Single Crystals of Vanadium Oxides as a Lens for Understanding Structural and Electronic Phase Transformations, Ion Transport, Chemo-Mechanical Coupling, and Electrothermal Neuronal Emulation13Computational Screening and Experimental Validation of Promising Wadsley-Roth Niobates2Morphological Impact on Sodium-Ion Storage in TiO 2 (B) Nanostructures2DFT reveals why Mo substitution enables multi-electron redox in Wadsley–Roth Mo x W 1− x Nb 12 O 330Role of Wadsley Defects and Cation Disorder to Enhance MoNb 12 O 33 Diffusion1Prediction of Nb–O Phase Stability and Analysis of Common Defects in BCC Nb and Vacancy-Ordered Rocksalt NbO0Strategic Off‐Stoichiometry to Accelerate Nb–W–O Lithium‐Ion Batteries0Structural Evolution and Chemical Incorporation Pathways in Wadsley-Roth Oxides0

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  1. Redox Mechanisms, Structural Changes, and Electrochemistry of the Wadsley–Roth Li x TiNb 2 O 7 Electrode Material

    Chemistry of Materials · 2023-11-14

    Muna Saber, Sesha Sai Behara, Anton Van der Ven

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  2. Carbon coated and oxygen vacancies incorporated Wadsley-Roth phase molybdenum niobium oxide for high-performance lithium-ion storage

    Journal of Electroanalytical Chemistry · 2024-05-28

    Hao Liang, Yidan Lu, Yidan Lu, Rongzhang Yang, Fengqi Lu

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  3. Redox Mechanisms upon the Lithiation of Wadsley–Roth Phases

    Inorganic Chemistry · 2024-06-04

    Muna Saber, Anton Van der Ven

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  4. Effect of Intermediate-Range Structure on Negative Electrode Properties of Wadsley–Roth Phase Ti2Nb10O29

    Electrochemistry · 2024-07-11

    Naoto Kitamura, Ryu NAGAI, Chiaki Ishibashi, Yasushi Idemoto

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  5. Relationship between network topology and negative electrode properties in Wadsley–Roth phase TiNb2O7

    NPG Asia Materials · 2024-12-10

    Naoto Kitamura, Hikari Matsubara, Koji Kimura, Ippei Obayashi, Yohei Onodera, Ken Nakashima, Hidetoshi Morita, M. Shiga, Yasuhiro Harada, Chiaki Ishibashi, Yasushi Idemoto, Kôichi Hayashi

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  6. Tailored TiNb2O7 Particle Size, Defects, and Crystallinity Accelerate Lithiation

    Chemistry of Materials · 2024-12-26

    CJ Sturgill, Iva Milisavljevic, Sean Cade Wechsler, Abdullah Al Muhit, Hans‐Conrad zur Loye, Scott T. Misture, Morgan Stefik

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  7. Typical structures and thermal expansion coefficients of ABO4-type (A=Ga, In, Cr; B=Nb, Ta) oxides as EBC candidates

    Extreme Materials · 2025-01-20

    Guiyu Xue, Lin Chen, Luyang Zhang, Jiankun Wang, Jing Feng

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  8. Investigating Lithium Ordering and Electronic Evolutions in Wadsley–Roth Phases

    The Journal of Physical Chemistry C · 2025-02-10

    Everett Zuras, François Fauth, Gwenaëlle Rousse, Alexis Grimaud

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  9. Effects of Metal Composition and Preparation Process on Negative Electrode Properties and Crystal Structure of Ga-Substituted TiNb2O7

    Electrochemistry · 2025-03-06

    Naoto Kitamura, Y. Suzuki, Chiaki Ishibashi, Yasushi Idemoto

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  10. Graph representation of local environments for learning high-entropy alloy properties

    Machine Learning Science and Technology · 2025-03-14

    Hengrui Zhang, Ruishu Huang, Jie Chen, James M. Rondinelli, Wei Chen

    Read original paper ↗ ·

  11. Single Crystals of Vanadium Oxides as a Lens for Understanding Structural and Electronic Phase Transformations, Ion Transport, Chemo-Mechanical Coupling, and Electrothermal Neuronal Emulation

    Chemical Reviews · 2025-10-23

    John D. Ponis, Shruti Hariyani, George Agbeworvi, S. Chakraborty, Victor H. Balcorta, James Pérez-Vázquez, Benjamin L. Rogers, Yu-Hsiang Chiang, A.M. Jessel, Timothy D. Brown, Richard Stanley Williams, Matt Pharr, Xiaofeng Qian, Sarbajit Banerjee

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  12. Computational Screening and Experimental Validation of Promising Wadsley-Roth Niobates

    Chemistry of Materials · 2025-11-14

    Zachary J. L. Bare, CJ Sturgill, Manish Kumar, Iva Milisavljevic, Hans‐Conrad zur Loye, Scott T. Misture, Morgan Stefik, Christopher A. Sutton

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  13. Morphological Impact on Sodium-Ion Storage in TiO 2 (B) Nanostructures

    Chemistry of Materials · 2025-12-30

    Andrea Zambotti, Jonathan Li, Gugulethu Charmaine Nkala, Aina Sebastian, Keyue Liang, Kodi Thurber, Randy Chen, Arava Zohar, Brent C. Melot, Ram Seshadri, Yuzhang Li, Johanna Nelson Weker, Sarah H. Tolbert, Anton Van der Ven, Bruce Dunn

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  14. DFT reveals why Mo substitution enables multi-electron redox in Wadsley–Roth Mo x W 1− x Nb 12 O 33

    Journal of Materials Chemistry A · 2026-01-01

    Luke D. Salzer, Cami Christensen, Claire Y Gervais, Alexander G. Squires, Alexis G. Manche, Danielle R. Lustig, Amy L. Prieto, James Richmond Neilson, David O. Scanlon, Justin B. Sambur

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  15. Role of Wadsley Defects and Cation Disorder to Enhance MoNb 12 O 33 Diffusion

    Advanced Energy Materials · 2026-02-15

    CJ Sturgill, Manish Kumar, Nima Karimitari, Iva Milisavljevic, Coby S. Collins, Aaron Hegler, Hsin‐Yun Joy Chao, Santosh Kiran Balijepalli, Scott T. Misture, Christopher A. Sutton, Morgan Stefik

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  16. Prediction of Nb–O Phase Stability and Analysis of Common Defects in BCC Nb and Vacancy-Ordered Rocksalt NbO

    Metallurgical and Materials Transactions A · 2026-02-17

    Colleen Reynolds, Tresa M. Pollock, Anton Van der Ven

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  17. Strategic Off‐Stoichiometry to Accelerate Nb–W–O Lithium‐Ion Batteries

    Batteries & Supercaps · 2026-06-01

    Roya Rajabi, Iva Milisavljevic, CJ Sturgill, Scott T. Misture, Morgan Stefik

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  18. Structural Evolution and Chemical Incorporation Pathways in Wadsley-Roth Oxides

    Inorganic Chemistry · 2026-10-10

    R. Jackson Spurling, Marlena Alexander, Michael Richard Koehler, Bernadette R. Cladek, Claudia J. Rawn, Philip D. Rack, Katharine Lynn Page

    Read original paper ↗ ·
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