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Иш: Insight of thermodynamic properties by the substitution of alkali metal ions in X2InGaCl6 (X = K, Rb, Cs) perovskites: DFT calculation and AIMD simulation

  1. Generalized Gradient Approximation Made Simple

    John P. Perdew, Kieron Burke, Matthias Ernzerhof

    Мақола1996153 иқтибос
    ABI

  2. Сарлавҳасиз

    Бошқа39 иқтибос
    ABI

  3. The Compressibility of Media under Extreme Pressures

    F. D. Murnaghan

    Мақола194434 иқтибос
    ABI

  4. First principles methods using CASTEP

    Stewart J. Clark, Matthew Segall, Chris J. Pickard +4

    Мақола200511 иқтибос
    ABI

  5. Cs<sub>2</sub>AgBiX<sub>6</sub> (X = Br, Cl): New Visible Light Absorbing, Lead-Free Halide Perovskite Semiconductors

    Eric T. McClure, Molly R. Ball, Wolfgang Windl +1

    Мақола20169 иқтибос
    ABI

  6. Sequential deposition as a route to high-performance perovskite-sensitized solar cells

    Julian Burschka, Norman Pellet, Soo‐Jin Moon +4

    Мақола20139 иқтибос
    ABI

  7. Die Gesetze der Krystallochemie

    V. M. Goldschmidt

    Мақола19268 иқтибос
    ABI

  8. Optoelectronic and thermoelectric properties of new lead-free K2NaSbZ6 (Z = Br, I) halide double-perovskites for clean energy applications: a DFT study

    Abderrazak Boutramine, Samah Al‐Qaisi, Saidi Samah +6

    Мақола20247 иқтибос
    ABI

  9. Phonons and related crystal properties from density-functional perturbation theory

    Stefano Baroni, Stefano de Gironcoli, Andrea Dal Corso +1

    Мақола20017 иқтибос
    ABI

  10. First principle study of structural, electronic, optical and mechanical properties of cubic fluoro-perovskites: (CdXF3, X = Y, Bi)

    Nasir Rahman, Mudasser Husain, Juan Yang +10

    Мақола20217 иқтибос
    ABI

  11. Finite Deformations of an Elastic Solid

    F. D. Murnaghan

    Мақола19376 иқтибос
    ABI

  12. Soft self-consistent pseudopotentials in a generalized eigenvalue formalism

    David Vanderbilt

    Мақола19906 иқтибос
    ABI

  13. Dynamic diels-alder reaction crosslinked metal-organic framework/poly (ionic liquid) composite solid electrolyte for lithium-metal batteries

    Hongjin Kuang, Haiyang Liao, Zhanzhan Zhang +6

    Мақола20256 иқтибос
    ABI

  14. Hybrid organic—inorganic perovskites: low-cost semiconductors with intriguing charge-transport properties

    Thomas M. Brenner, David A. Egger, Leeor Kronik +2

    Шарҳ мақола20165 иқтибос
    ABI

  15. 3D simulation and performance analysis of the non-isothermal charge/discharge processes in thermo-electrochemical cycle

    Shuchang Liu, Fan Fan, Anming Wang +3

    Мақола20255 иқтибос
    ABI

  16. A theoretical investigation of the Ba2CePtO6 double perovskite for optoelectronic and thermoelectric applications

    Abderrazak Boutramine, Samah Al‐Qaisi, Malak Azmat Ali +7

    Мақола20244 иқтибос
    ABI

  17. First-principles prediction of the ground-state crystal structure of double-perovskite halides Cs2AgCrX6 (X = Cl, Br, and I)

    Muhammad Saeed, Izaz Ul Haq, Awais Siddique Saleemi +4

    Мақола20214 иқтибос
    ABI

  18. DFT calculations of solids with LAPW and WIEN2k

    Karlheinz Schwarz

    Мақола20034 иқтибос
    ABI

  19. Exploring the lead-free halide Cs2MGaBr6 (M = Li, Na) double perovskites for sustainable energy applications

    Mudasir Younis Sofi, Mohd. Shahid Khan, Javid Ali +1

    Мақола20244 иқтибос
    ABI

  20. Optoelectronic and thermoelectric properties of double perovskite Rb2PtX6 (X = Cl, Br) for energy harvesting: First-principles investigations

    Q. Mahmood, M. Hassan, Tahani H. Flemban +4

    Мақола20204 иқтибос
    ABI

  21. First-principles investigation of Cs2TlGaX6 (X = Cl, F) double perovskites: structural and dynamical stability, elastic properties, and optoelectronic characteristics for applications in semiconductor technology

    Nasir Rahman, Mudasser Husain, Younas Ahmad +13

    Мақола20244 иқтибос
    ABI

  22. Theoretical investigation of physical properties of <scp> Sr <sub>2</sub> XNbO <sub>6</sub> </scp> (X = La, Lu) double perovskite oxides for optoelectronic and thermoelectric applications

    Anam Hanif, Shatha A. Aldaghfag, Asima Aziz +2

    Мақола20223 иқтибос
    ABI

  23. Lead-free halide double perovskites: Toward stable and sustainable optoelectronic devices

    Asia Bibi, Ilgeum Lee, Yoonseo Nah +8

    Мақола20213 иқтибос
    ABI

  24. Opto‐electronic and thermophysical characteristics of <scp>A<sub>2</sub>TlAgF<sub>6</sub></scp> (A = Rb, Cs) for green technology applications

    Samah Al‐Qaisi, Nazia Iram, Saidi Samah +7

    Мақола20243 иқтибос
    ABI

  25. ELATE: an open-source online application for analysis and visualization of elastic tensors

    Romain Gaillac, Pluton Pullumbi, François‐Xavier Coudert

    Мақола20163 иқтибос
    ABI