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83 ta ish

Ish: 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

    Maqola1996153 iqtibos
    ABI

  2. Sarlavhasiz

    Boshqa39 iqtibos
    ABI

  3. The Compressibility of Media under Extreme Pressures

    F. D. Murnaghan

    Maqola194434 iqtibos
    ABI

  4. First principles methods using CASTEP

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

    Maqola200511 iqtibos
    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

    Maqola20169 iqtibos
    ABI

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

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

    Maqola20139 iqtibos
    ABI

  7. Die Gesetze der Krystallochemie

    V. M. Goldschmidt

    Maqola19268 iqtibos
    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

    Maqola20247 iqtibos
    ABI

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

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

    Maqola20017 iqtibos
    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

    Maqola20217 iqtibos
    ABI

  11. Finite Deformations of an Elastic Solid

    F. D. Murnaghan

    Maqola19376 iqtibos
    ABI

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

    David Vanderbilt

    Maqola19906 iqtibos
    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

    Maqola20256 iqtibos
    ABI

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

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

    Sharh maqola20165 iqtibos
    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

    Maqola20255 iqtibos
    ABI

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

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

    Maqola20244 iqtibos
    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

    Maqola20214 iqtibos
    ABI

  18. DFT calculations of solids with LAPW and WIEN2k

    Karlheinz Schwarz

    Maqola20034 iqtibos
    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

    Maqola20244 iqtibos
    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

    Maqola20204 iqtibos
    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

    Maqola20244 iqtibos
    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

    Maqola20223 iqtibos
    ABI

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

    Asia Bibi, Ilgeum Lee, Yoonseo Nah +8

    Maqola20213 iqtibos
    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

    Maqola20243 iqtibos
    ABI

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

    Romain Gaillac, Pluton Pullumbi, François‐Xavier Coudert

    Maqola20163 iqtibos
    ABI