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RESEARCH PAPER · The Journal of Physical Chemistry Letters · 2022

Localization Mechanism of Interstitial Electronic States in Electride Mayenite

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Localization Mechanism of Interstitial Electronic States in Electride MayeniteOriginalToward Complementary Characterization of the Chemical Bond5Exploring correlation effects and volume collapse during electride dimensionality change in Ca 2 N10The Role of Oxygen Vacancy in Cao-Ca12al14o33 Materials Derived from Hydrocalumite for Enhanced Co2 Capture Cyclic Performance0Electronic Transport via Interstitial States in Mayenite Electride10Dimensionality-Driven Evolution of Electronic Structure and Transport Properties in Pressure-Induced Phases of Ca2N Electride7Evolyutsiya elektronnoy struktury i transportnykh svoystv Ca2N pri izmenenii razmernosti elektridnogo podprostranstva pod davleniem0The role of oxygen vacancy in CaO-Ca12Al14O33 materials derived from hydrocalumite for enhanced CO2 capture cyclic performance60Electronic correlations and intrinsic magnetism of interstitial quasi-atomic states in Li 8 Au electride12Exploring Interstitial Electronic States in Electride Materials: Dft+U+V Insights into Li8au0Impact of Coulomb interactions on the phase transition and electronic structure of Ba 2 N electride under pressure: A DFT+U+V approach3Exploring interstitial electronic states in electride materials: DFT+U+V insights into Li 8 Au2Using Topology to Predict Electrides in the Solid State1Band structure regulation and emission performance optimization of Sc3+-Doped C12A7:e− based on the heterovalent charge compensation mechanism0Emergent antiferromagnetism and Mott proximity in BaF electride bilayer1Flexible hybridization of interstitial electrons with a transition metal center0MoS2/C12A7:e− Electride Heterostructure as a Bifunctional Cathode Host for Polysulfide Immobilization and Accelerated Sulfur Conversion in Na─S Batteries0Interface-driven surface magnetism and correlation effects in van der Waals electride heterostructures0

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  1. Toward Complementary Characterization of the Chemical Bond

    The Journal of Physical Chemistry Letters · 2022-10-27

    Maciej Hendzel, Maciej Fidrysiak, Józef Spałek

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  2. Exploring correlation effects and volume collapse during electride dimensionality change in Ca 2 N

    Physical Chemistry Chemical Physics · 2023-01-01

    Dmitry Y. Novoselov, Mary A. Mazannikova, Dmitry M. Korotin, Alexey O. Shorikov, Vladimir I. Anisimov, Артем Ромаевич Оганов

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  3. The Role of Oxygen Vacancy in Cao-Ca12al14o33 Materials Derived from Hydrocalumite for Enhanced Co2 Capture Cyclic Performance

    SSRN Electronic Journal · 2023-01-01

    yuyuan ZHENG, zhiwei Ge, Liang Wang, Shuang Zhang, Xipeng Lin, Qicheng Chen, Haisheng Chen

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  4. Electronic Transport via Interstitial States in Mayenite Electride

    The Journal of Physical Chemistry C · 2023-04-27

    Mary A. Mazannikova, Dmitry M. Korotin, Alexey O. Shorikov, Vladimir I. Anisimov, Dmitry Y. Novoselov

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  5. Dimensionality-Driven Evolution of Electronic Structure and Transport Properties in Pressure-Induced Phases of Ca2N Electride

    Journal of Experimental and Theoretical Physics Letters · 2023-10-30

    Mary A. Mazannikova, Dmitry M. Korotin, Vladimir I. Anisimov, Артем Ромаевич Оганов, Dmitry Y. Novoselov

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  6. Evolyutsiya elektronnoy struktury i transportnykh svoystv Ca2N pri izmenenii razmernosti elektridnogo podprostranstva pod davleniem

    Письма в Журнал экспериментальной и теоретической физики · 2023-12-15

    Mary A. Mazannikova, Dmitry M. Korotin, Vladimir I. Anisimov, Артем Ромаевич Оганов, Dmitry Y. Novoselov

    Read original paper ↗ ·
  7. The role of oxygen vacancy in CaO-Ca12Al14O33 materials derived from hydrocalumite for enhanced CO2 capture cyclic performance

    Chemical Engineering Journal · 2023-12-28

    Zheng Yuyuan, Zhiwei Ge, Haocheng Sun, Liang Wang, Shuang Zhang, Xipeng Lin, Chen Qicheng, Chen Haisheng

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  8. Electronic correlations and intrinsic magnetism of interstitial quasi-atomic states in Li 8 Au electride

    Physical Chemistry Chemical Physics · 2024-01-01

    Dmitry Y. Novoselov, Dmitry M. Korotin, Alexey O. Shorikov, Vladimir I. Anisimov, Артем Ромаевич Оганов

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  9. Exploring Interstitial Electronic States in Electride Materials: Dft+U+V Insights into Li8au

    SSRN Electronic Journal · 2025-01-01

    Dmitry Y. Novoselov, Mary A. Mazannikova

    Read original paper ↗ ·
  10. Impact of Coulomb interactions on the phase transition and electronic structure of Ba 2 N electride under pressure: A DFT+U+V approach

    Journal of Physics and Chemistry of Solids · 2025-01-25

    Mary A. Mazannikova, Dmitry M. Korotin, Vladimir I. Anisimov, Dmitry Y. Novoselov

    Read original paper ↗ ·
  11. Exploring interstitial electronic states in electride materials: DFT+U+V insights into Li 8 Au

    Journal of Physics and Chemistry of Solids · 2025-04-25

    Dmitry Y. Novoselov, Mary A. Mazannikova

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  12. Using Topology to Predict Electrides in the Solid State

    The Journal of Physical Chemistry A · 2025-10-17

    Stefano Racioppi, Eva Zurek

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  13. Band structure regulation and emission performance optimization of Sc3+-Doped C12A7:e− based on the heterovalent charge compensation mechanism

    Vacuum · 2026-03-31

    Jingjing Liu, Xin Zhang, Yifan Wang, Yuman Guo, Wei Li, Qinglin Rong, Q. M. Lu, Shenlin Zhou

    Read original paper ↗ ·
  14. Emergent antiferromagnetism and Mott proximity in BaF electride bilayer

    Physical Review Materials · 2026-07-20

    Dmitry Y. Novoselov, Zaur Z. Isaev

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  15. Flexible hybridization of interstitial electrons with a transition metal center

    Cell Reports Physical Science · 2026-07-22

    Raza ullah shah Bacha, Nikita A. Kudriavykh, Yoji Kobayashi

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  16. MoS2/C12A7:e− Electride Heterostructure as a Bifunctional Cathode Host for Polysulfide Immobilization and Accelerated Sulfur Conversion in Na─S Batteries

    ACS Applied Energy Materials · 2026-08-22

    Niphat Thatsami, Ali Hassan, Pornsawan Sikam, Pairot Moontragoon, Manaswee Suttipong, Ashok Kumar Nanjundan, Tanveer Hussain, Thanayut Kaewmaraya

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  17. Interface-driven surface magnetism and correlation effects in van der Waals electride heterostructures

    Journal of Physics and Chemistry of Solids · 2026-08-31

    Dmitry Y. Novoselov, Zaur Z. Isaev, Mary A. Mazannikova

    Read original paper ↗ ·