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Работы, цитирующие эту работу

Работ: 11

Работа: First principles methods using CASTEP

  1. Atom-to-Device Simulation of MoO3/Si Heterojunction Solar Cell

    Jasurbek Gulomov, Oussama Accouche, Zaher Al Barakeh +3

    СтатьяChalcogenide Semiconductor Thin FilmsNanomaterials2022Цитирований: 5
    ABI

  2. Effective masses, electronic and optical properties of (111)-layered B-site deficient hexagonal perovskite Ba<sub>5</sub>M<sub>4</sub>O<sub>15</sub>(M = Ta, Nb): a DFT study using HSE06

    Ehsan Zahedi, Mirabbos Hojamberdiev, Maged F. Bekheet

    СтатьяPerovskite Materials and ApplicationsRSC Advances2016Цитирований: 1
    ABI

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

    Asghar Hussain, Ijaz Hussain, Muhammad Khuram Shahzad +7

    СтатьяPerovskite Materials and ApplicationsThe Journal of Chemical Thermodynamics2026Цитирований: 1
    ABI

  4. Investigation of structural, mechanical, optoelectronic and thermoelectric features of Rb2Na1-xBxScI6 (B = Cu and Ag; x = 0, 0.25), for renewable energy applications

    Salman Ahmed, Ghalib ul Islam, Mohammad Nasir +7

    СтатьяPerovskite Materials and ApplicationsSolid State Communications2026Цитирований: 1
    ABI

  5. Two-dimensional metallic Si2BC as a promising and high-performance anode material for magnesium-ion batteries: A DFT study

    Qamar Abuhassan, Mohamed Abu Shuheil, Luma Hussain Saleh +8

    СтатьяAdvancements in Battery MaterialsComputational and Theoretical Chemistry2026Цитирований: 1
    ABI

  6. Erbium ion implantation into diamond – measurement and modelling of the crystal structure

    Jakub Cajzl, Pavla Nekvindová, Anna Macková +8

    СтатьяDiamond and Carbon-based Materials ResearchPhysical Chemistry Chemical Physics2017Цитирований: 0
    ABI

  7. First-principles investigation of the equation of state and elastic properties of perovskite-type SrW(O,N)3 under hydrostatic pressures up to 139 GPa

    Ehsan Zahedi, Mirabbos Hojamberdiev

    СтатьяHigh-pressure geophysics and materialsThe European Physical Journal B2017Цитирований: 0
    ABI

  8. A first–principles study on polar hexagonal Cs 2 Te M 3 O 12 ( M = W, Mo): New visible–light responsive photocatalyst

    Ehsan Zahedi, Mirabbos Hojamberdiev

    СтатьяAdvanced Photocatalysis TechniquesJournal of Solid State Chemistry2017Цитирований: 0
    ABI

  9. Suntulip: New Tool to Simulate Solar Cells

    Jasurbek Gulomov, Oussama Accouche, Bilel Neji +1

    Статьяsolar cell performance optimizationIEEE Access2023Цитирований: 0
    ABI

  10. 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

    Asghar Hussain, Muhammad Khuram Shahzad, Abhinav Kumar +8

    СтатьяHydrogen Storage and MaterialsNew Journal of Chemistry2025Цитирований: 0
    ABI

  11. Using DFT to explore the sensitivity of pure and vacancy-defected BC6N monolayer towards formaldehyde gas

    Chou‐Yi Hsu, Ehab Yassen Theab, Shaxnoza Saydaxmetova +8

    СтатьяBoron and Carbon Nanomaterials ResearchColloids and Surfaces A Physicochemical and Engineering Aspects2025Цитирований: 0
    ABI