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50 ta ish

Ish: Strain-dependent structural, electronic, mechanical, optical and thermoelectric properties of Sr<sub>3</sub>NBr<sub>3</sub> perovskites for solar cell applications

  1. Atoms in molecules

    R. F. W. Bader

    Maqola198514 iqtibos
    ABI

  2. New tolerance factor to predict the stability of perovskite oxides and halides

    Christopher J. Bartel, Christopher Sutton, Bryan R. Goldsmith +4

    Maqola201914 iqtibos
    ABI

  3. <i>Ab‐initio</i>simulations of materials using VASP: Density‐functional theory and beyond

    Jürgen Häfner

    Maqola200813 iqtibos
    ABI

  4. A fast and robust algorithm for Bader decomposition of charge density

    Graeme Henkelman, Andri Arnaldsson, Hannes Jónsson

    Maqola200512 iqtibos
    ABI

  5. First-principles Phonon Calculations with Phonopy and Phono3py

    Atsushi Togo

    Maqola202212 iqtibos
    ABI

  6. Probing of mechanical, optical and thermoelectric characteristics of double perovskites Cs2GeCl/Br6 by DFT method

    Q. Mahmood, Taher Ghrib, Amani Rached +2

    Maqola20209 iqtibos
    ABI

  7. Sarlavhasiz

    Boshqa9 iqtibos
    ABI

  8. Enhanced efficiency with CDCA co-adsorption for dye-sensitized solar cells based on metallosalophen complexes

    Jie Zhang, Aiguo Zhong, Guobo Huang +4

    Maqola20207 iqtibos
    ABI

  9. Probing the physical properties of Sr3AsX3 (X = F and Br) perovskite compounds for prospective solar cell applications employing the DFT framework

    Ali Algahtani, Amina, Fida Rehman +8

    MaqolaPerovskite Materials and ApplicationsInorganic Chemistry Communications20246 iqtibos
    ABI

  10. A DFT study of electronic, optical and thermoelectric properties of Ge-halide perovskites CsGeX3 (X=F, Cl and Br)

    Soukaina Bouhmaidi, Adil Marjaoui, Abdelali Talbi +3

    Maqola20225 iqtibos
    ABI

  11. Electronic, optical and thermoelectric properties of the CsMF3 (M= Si or Ge) fluoro-perovskites

    Y. Selmani, H. Labrim, Soumia Ziti +1

    Maqola20224 iqtibos
    ABI

  12. Study of structural, electronic, mechanical, optical and thermoelectric properties of As based halide-perovskites Ba3AsX3 (X= F, Cl): A first-principles insights

    Shereen M. Al‐Shomar, Maryam Liaqat, Iqra Anmol +12

    MaqolaHeusler alloys: electronic and magnetic propertiesJournal of Materials Research and Technology20243 iqtibos
    ABI

  13. A comprehensive DFT study to evaluate the modulation in the band gap, elastic, and optical behaviour of CsPbBr<sub>3</sub> under the effect of stress

    S. M. Junaid Zaidi, M. Ijaz Khan, S.S.A. Gillani +3

    Maqola20223 iqtibos
    ABI

  14. Structural, electronic and magnetic properties of the perovskite Ymno3

    Y. Selmani, M. Mouatassime, F. Goumrhar +3

    Maqola20213 iqtibos
    ABI

  15. Study of structural, electronic, magnetic, and optical properties of A2FeMnO6 (A = Ba, La) double perovskites, experimental and DFT analysis

    Saqlain A. Dar, G. Murtaza, Taharh Zelai +7

    Maqola20233 iqtibos
    ABI

  16. Exploring the impact of strain on the electronic and optical properties of inorganic novel cubic perovskite Sr<sub>3</sub>PI<sub>3</sub>

    Md. Ferdous Rahman, Md. Harun‐Or‐Rashid, Md. Rasidul Islam +7

    Maqola20233 iqtibos
    ABI

  17. DFT analysis of elastic and optoelectronic properties of Cs2NaXCl6 (X=In, La, Sc, Y) double perovskite compounds

    Shakeel Shakeel, Peng Song, Syed Hatim Shah +5

    Maqola20243 iqtibos
    ABI

  18. Modeling of structural, elastic, mechanical, acoustical, electronic and thermodynamic properties of XPdF <sub>3</sub> (X = Rb, Tl) perovskites through density functional theory

    Malak Azmat Ali, Rehan Ullah, Sajad Ahmad Dar +3

    Maqola20202 iqtibos
    ABI

  19. Structural, electronic, half –metallic ferromagnetic and optical properties of cubic MAlO3 (M=Ce, Pr) perovskites: A DFT study

    Mehwish Khalid Butt, Muhammad Yaseen, Javed Iqbal +4

    Maqola20212 iqtibos
    ABI

  20. Tuning the optoelectronic and thermoelectric characteristics of narrow bandgap Rb2AlInX6(X= Cl, Br, I) double perovskites: A DFT study

    Saba Iqbal, Ghulam Mustafa, Mazia Asghar +4

    Maqola20222 iqtibos
    ABI

  21. Effect of pressure on structural, elastic and mechanical properties of cubic perovskites XCoO3 (X = Nd, Pr) from first-principles investigations

    Abu Bakar, Ayash Alrashdi, Mohammed M. Fadhali +3

    Maqola20222 iqtibos
    ABI

  22. First-principles calculations to investigate the physical properties of lead-free double perovskites Cs2AgXCl6 (X=P, Co, As, Cd) for optoelectronic applications

    Abeer Mera, Muhammad Awais Rehman, Zia Ur Rehman

    Maqola20232 iqtibos
    ABI

  23. Impact of A-Cations Modified on the Structural, Electronic, Optical, Mechanical, and Solar Cell Performance of Inorganic Novel A<sub>3</sub>NCl<sub>3</sub> (A = Ba, Sr, and Ca) Perovskites

    Md. Azizur Rahman, Md. Ferdous Rahman, Latha Marasamy +4

    Maqola20242 iqtibos
    ABI

  24. Enhancing electron transport through metal oxide adjustments in perovskite solar cells and their suitability for X-ray detection

    Xin Li, Sikandar Aftab, Hailiang Liu +6

    Maqola20242 iqtibos
    ABI

  25. Sarlavhasiz

    Boshqa1 iqtibos
    ABI