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RESEARCH PAPER · Computational Materials Science · 2021

Layered oxides as cathode materials for beyond-Li batteries: A computational study of Ca and Al intercalation in bulk V2O5 and MoO3

Tilak Das, Sergio Tosoni, Gianfranco Pacchioni

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Layered oxides as cathode materials for beyond-Li batteries: A computational study of Ca and Al intercalation in bulk V2O5 and MoO3OriginalA Comparative Review of Metal Oxide Surface Coatings on Three Families of Cathode Materials for Lithium Ion Batteries50Searching Ternary Oxides and Chalcogenides as Positive Electrodes for Calcium Batteries28Ab initio investigations on metal ion pre-intercalation strategy of layered V2O5 cathode for magnesium-ion batteries23Sodium-pillared vanadium oxides as next-gen materials: Does co-inserted water control the cyclic stability of vanadates in an aqueous electrolyte?8Recent Achievements in Experimental and Computational Studies of Positive Electrode Materials for Nonaqueous Ca- and Al-Ion Batteries23V2O5 as a versatile electrode material for postlithium energy storage systems29Novel and innovative ionic liquids based electrolytes and their applications in batteries1Honeycomb layered oxide as cathodic material for Li- and post-Li batteries: A self-consistent PBE + U study of metal ions (A = Li, Ca, Al) intercalation in bulk SrRu2O62Precise Cathode Interfacial Engineering for Enhanced Electrochemical and Thermal Stability of Lithium-Ion Batteries9Intercalation Reaction of Molybdenum Trioxide Cathode for Rechargeable Ion Batteries11Structure Evolution of V 2 O 5 as Electrode Materials for Metal‐Ion Batteries33Revisiting dispersion and reactivity of active sites via a restricted random distribution model over supported vanadia catalysts for NO reduction1Cathode materials for non-aqueous calcium rechargeable batteries15Exploring spin multiplicity in MoS 24Multivalent‐Ion Electrochromic Energy Saving and Storage Devices68Materials challenges for aluminum ion based aqueous energy storage devices: Progress and prospects155Synthesis of Ultrathin Alloy (Mo, V)-Tungsten-Oxide Nanowires: Implications for Electrochromic and Supercapacitor Applications15Electrode materials for calcium batteries: Future directions and perspectives13Progress and prospect of transition metal compound cathode materials with stable metal ion storage effect in various battery systems15Application of response surface methodology for optimization of Ca-Mg Co-doped V2O5 Ion storage films by hydrothermal-assisted sol-gel method1First-principles insights into hyperfine parameters in the pristine and Ta-probed monoclinic hafnia1A comparative first-principles magnetic ground states study in pristine and reduced LaMnO3-x ($0.0\le x\le 0.04$): Role of magnetic quasi-particles5Review: vanadium pentoxide thin films-advanced doping strategies and interface engineering for next-generation applications3Effect of protons on polaron mobility in transition metal oxides2Identify the switching of V O 3 and V O 4 and its effect on ferroelectric hafnia0Thermodynamic and electronic properties of the solid Na 2 O − MoO 3 − UO 3 system: A combined experimental and first-principles study1Polaron transport and Verwey transition in magnetite0

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27 direct citing papers saved.

  1. A Comparative Review of Metal Oxide Surface Coatings on Three Families of Cathode Materials for Lithium Ion Batteries

    Coatings · 2021-06-22

    Thabang Ronny Somo, Tumiso Eminence Mabokela, Daniel M. Teffu, Tshepo Kgokane Sekgobela, Brian Ramogayana, Mpitloane Joseph Hato, Kwena Desmond Modibane

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  2. Searching Ternary Oxides and Chalcogenides as Positive Electrodes for Calcium Batteries

    Chemistry of Materials · 2021-07-16

    Lu Wang, Juefan Wang, Gopalakrishnan Sai Gautam, Pieremanuele Canepa

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  3. Ab initio investigations on metal ion pre-intercalation strategy of layered V2O5 cathode for magnesium-ion batteries

    Applied Surface Science · 2021-08-18

    Jingdong Yang, Xiao Wang, Jinxing Wang, Jinxing Wang, Xiaoyang Dong, Ling Zhu, Dewen Hou, Wen Zeng, Jingfeng Wang, Jingfeng Wang, Fusheng Pan

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  4. Sodium-pillared vanadium oxides as next-gen materials: Does co-inserted water control the cyclic stability of vanadates in an aqueous electrolyte?

    Electrochimica Acta · 2022-05-22

    Milica Vujković, Dušan Mladenović, Miloš D. Milović, Tamara Petrović, Danica Bajuk‐Bogdanović, Biljana Šljukić, Slavko Mentus

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  5. Recent Achievements in Experimental and Computational Studies of Positive Electrode Materials for Nonaqueous Ca- and Al-Ion Batteries

    The Journal of Physical Chemistry C · 2022-05-31

    Muhammad Hilmy Alfaruqi, Seunggyeong Lee, Hyokyeong Kang, Balaji Sambandam, Vinod Mathew, Jang‐Yeon Hwang, Jaekook Kim

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  6. V2O5 as a versatile electrode material for postlithium energy storage systems

    Applied Research · 2022-10-25

    Qiang Fu, Hainan Zhao, Angelina Sarapulova, Sonia Dsoke

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  7. Novel and innovative ionic liquids based electrolytes and their applications in batteries

    Elsevier eBooks · 2023-01-01

    Muhammad Imran Ahmad, Huma Warsi Khan, Mansoor Ul Hassan Shah, Muhammad Noman, Mehmet Kadri Aydınol, Muhammad Moniruzzaman

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  8. Honeycomb layered oxide as cathodic material for Li- and post-Li batteries: A self-consistent PBE + U study of metal ions (A = Li, Ca, Al) intercalation in bulk SrRu2O6

    Solid State Ionics · 2023-02-01

    Tilak Das, Sergio Tosoni

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  9. Precise Cathode Interfacial Engineering for Enhanced Electrochemical and Thermal Stability of Lithium-Ion Batteries

    ACS Applied Energy Materials · 2023-02-21

    Lenin W. Kum, Nick Vallo, Deependra Kumar Singh, Jitendra Kumar

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  10. Intercalation Reaction of Molybdenum Trioxide Cathode for Rechargeable Ion Batteries

    Batteries & Supercaps · 2023-03-06

    Dawei Sheng, Xiaoxu Liu, Qiang Zhang, Haozhe Yi, XuanZhang Wang, Shufang Fu, Sheng Zhou, Jiaguo Shen, Ang Gao

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  11. Structure Evolution of V 2 O 5 as Electrode Materials for Metal‐Ion Batteries

    Batteries & Supercaps · 2023-07-09

    Xiaogang Niu, Nan Li, Yifan Chen, Jianwen Zhang, Yusi Yang, Lulu Tan, Jianghao Wu, Lin Guo, Yujie Zhu

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  12. Revisiting dispersion and reactivity of active sites via a restricted random distribution model over supported vanadia catalysts for NO reduction

    Fuel · 2023-08-31

    Jingyu Xue, Yang Zhang, Wenshuo Hu, Yanrong Chen, Zhongqing Yang, Jingyu Ran, Xinbao Li, Xin Cheng Tu, Xuesen Du

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  13. Cathode materials for non-aqueous calcium rechargeable batteries

    Nanoscale · 2024-01-01

    Yingkai Hua, Yiyuan Ma, Qi Qi, Zheng‐Long Xu

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  14. Exploring spin multiplicity in MoS 2

    Nanoscale · 2024-01-01

    Sudipta Khamrui, Kamini Bharti, Daniella Goldfarb, Tilak Das, Debamalya Banerjee

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  15. Multivalent‐Ion Electrochromic Energy Saving and Storage Devices

    Advanced Functional Materials · 2024-01-04

    Zhongqiu Tong, Xing Feng Zhu, Hongbo Xü, Zhishan Li, Shaoyuan Li, Fengshuo Xi, Tianxing Kang, Wenhui Ma, Chun‐Sing Lee

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  16. Materials challenges for aluminum ion based aqueous energy storage devices: Progress and prospects

    Progress in Materials Science · 2024-02-16

    Xiao Hu Zheng, Cuiping Han, Chun‐Sing Lee, Wenjiao Yao, Chunyi Zhi, Yongbing Tang

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  17. Synthesis of Ultrathin Alloy (Mo, V)-Tungsten-Oxide Nanowires: Implications for Electrochromic and Supercapacitor Applications

    ACS Applied Nano Materials · 2024-03-07

    Noa Afik, Murugesan Sandhiya, Karam Shreteh, Helena Fridman, Yara Hijaze, Michael Volokh, Taleb Mokari

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  18. Electrode materials for calcium batteries: Future directions and perspectives

    EcoEnergy · 2024-07-20

    Titus N. Masese, Godwill Mbiti Kanyolo

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  19. Progress and prospect of transition metal compound cathode materials with stable metal ion storage effect in various battery systems

    Green Energy & Environment · 2025-02-12

    Dongfang Guo, Bin Zhang

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  20. Application of response surface methodology for optimization of Ca-Mg Co-doped V2O5 Ion storage films by hydrothermal-assisted sol-gel method

    Journal of Sol-Gel Science and Technology · 2025-06-02

    Xiangru Yin, Qiqi Mei, Yinan Zhang, Guixiang Yang, Dequan Zhang, Mingyuan Liu, Runhong Du, Xiaoping Liang

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  21. First-principles insights into hyperfine parameters in the pristine and Ta-probed monoclinic hafnia

    Applied Physics A · 2025-07-18

    Santanu Pathak, P. Das, Tilak Das

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  22. A comparative first-principles magnetic ground states study in pristine and reduced LaMnO3-x ($$0.0\le x\le 0.04$$): Role of magnetic quasi-particles

    Applied Physics A · 2025-10-28

    P. Srikanth Patnaik, Tilak Das, Sergio Tosoni, Gour Prasad Das

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  23. Review: vanadium pentoxide thin films-advanced doping strategies and interface engineering for next-generation applications

    Journal of Materials Science · 2026-01-07

    Santosh Chackrabarti, Rayees Ahmad Zargar

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  24. Effect of protons on polaron mobility in transition metal oxides

    Physical Review Materials · 2026-03-09

    Pjotrs Žguns, Bilge Yildiz

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  25. Identify the switching of V O 3 and V O 4 and its effect on ferroelectric hafnia

    Physical review. B./Physical review. B · 2026-03-12

    Sida Li, Zihe Wang, Tingxiao Xie, Chuang Xue, Yufeng Xue, Yin Qian, Tongcai Yue, Junwen Yin, Tengfei Cao, Gilberto Teobaldi, Qi Hu, Limin Liu

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  26. Thermodynamic and electronic properties of the solid Na 2 O − MoO 3 − UO 3 system: A combined experimental and first-principles study

    Physical Review Materials · 2026-05-01

    Gleb Chichevatov, Sergei V. Artobolevskii, Ilya Taydakov, Liubov Podrezova, Vladimir Stegailov

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  27. Polaron transport and Verwey transition in magnetite

    Physical review. B./Physical review. B · 2026-08-07

    Anonymous, Vladimir Stegailov

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