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Иш: Enhancing the gravimetric hydrogen storage capacity and optoelectronic performance of a novel Li<sub>2</sub>GePbH<sub>6</sub> hydride perovskite: a DFT investigation

  1. Computational insights of double perovskite X2CaCdH6 (X = Rb and Cs) hydride materials for hydrogen storage applications: A DFT analysis

    Waqar Azeem, Shoukat Hussain, Muhammad Khuram Shahzad +7

    Мақола20243 иқтибос
    ABI

  2. An ab-initio study of the physical properties of Ge-based perovskites (XGeH3: X=Mg, Ca, and Sr) for potential hydrogen storage application

    M. Kashif Masood, Ghulam Murtaza, Nadia Ahmad +6

    Мақола20243 иқтибос
    ABI

  3. Exploring the optoelectronic attributes, thermoelectric and photocatalytic potential of double perovskites Cs2BB'H6 (B = Al, Na and B'=Tl, In): A DFT study

    Hudabia Murtaza, Qurat Ul Ain, Junaid Munir +3

    Мақола20242 иқтибос
    ABI

  4. First-principles study of the hydrogen storage properties of hydride perovskites XCuH3 (X = K, Rb) for hydrogen storage applications

    Yifei Du, Nanlin Xu, Shanjun Chen +4

    Мақола20242 иқтибос
    ABI

  5. General methods for geometry and wave function optimization

    Thomas Fischer, Jan Almløf

    Мақола19922 иқтибос
    ABI

  6. Novel silicon allotropes: Stability, mechanical, and electronic properties

    Qingyang Fan, Changchun Chai, Qun Wei +8

    Мақола20152 иқтибос
    ABI

  7. Characteristics of hydrogen production from steam gasification of plant-originated lignocellulosic biomass and its prospects in Vietnam

    Anh Tuan Hoang, Zuohua Huang, Sandro Nižetić +7

    Мақола20212 иқтибос
    ABI

  8. Structural, electronic, elastic, vibrational and thermodynamic properties of antiperovskites Mg3NX (X = Ge, Sn): A DFT study

    Debidatta Behera, Aparna Dixit, Binayaka Nahak +5

    Мақола20222 иқтибос
    ABI

  9. Structures and hydrogen storage properties of AeVH3 (Ae = Be, Mg, Ca, Sr) perovskite hydrides by DFT calculations

    Areeba Siddique, Adnan Khalil, Badriah S. Almutairi +7

    Мақола20232 иқтибос
    ABI

  10. First principles study of the structural, elastic, magneto-electronic and thermoelectric properties of double perovskite Ba2ZrFeO6 in ferrimagnetic phase

    M. Caid, Y. Rached, D. Rached +1

    Мақола20232 иқтибос
    ABI

  11. A Density Functional Theory Exploration of Cs<sub>2</sub>B′B″I<sub>6</sub> (B′B″: BeCa, BeSr, GeCd, GeBe, GeMg) Halide Double Perovskites for Optimal Solar Cell and Renewable Energy Applications

    M. Caid, D. Rached, H. Rached +1

    Мақола20242 иқтибос
    ABI

  12. Study of Structural, Electronic, Optical, Mechanical, and Thermodynamic Properties of Perovskite RbX2Ta3O10 (X = Ca and Mg) Materials for Photocatalytic Applications: A DFT Insights

    Shoukat Hussain, Jalil Ur Rehman, Muhammad Bilal Tahir +1

    Мақола20242 иқтибос
    ABI

  13. Investigation of structural, elastic, electronic, and optical properties of lead-free double perovskites Cs2XBeBr6 (X = Ge, Sn): a first-principles DFT study

    M. Caid, H. Rached, D. Rached +1

    Мақола20242 иқтибос
    ABI

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