Anu Maria Augustine

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Publications (6)

• Enhancing the electrochemical properties of Na2Mn2P3O9N by partial substitution at Mn site: A first-principles study
  Journal of Physics and Chemistry of Solids 2024 DOI: 10.1016/j.jpcs.2023.111778
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• First-Principles Investigation on Delithiation Mechanisms in a Li-Rich Monoclinic Li2MoO3 Cathode Material for Li-Ion Batteries
  Inorganic Chemistry 2023 DOI: 10.1021/acs.inorgchem.3c01331
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• Suppressing the initial capacity fade in Li-rich Li5FeO4 with anionic redox by partial Co substitution – a first-principles study
  Sustainable Energy & Fuels 2023 DOI: 10.1039/D2SE01519F
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• Na2mn(Co3)2: A Carbonate Based Prototype Cathode Material for Na-Ion Batteries with High Rate Capability - an Ab-Initio Study
  2022 DOI: 10.2139/ssrn.4240470
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• Ti Substitution in Li5FeO4: A Li-Rich Cathode Material for Li-Ion Batteries from First Principles Calculations
  ECS Journal of Solid State Science and Technology 2021 DOI: 10.1149/2162-8777/ac2d06
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• Role of W-site substitution on mechanical and electronic properties of cubic tungsten carbide
  Journal of Physics: Condensed Matter 2020 DOI: 10.1088/1361-648X/ab6428
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