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S. Mehdi Vaez Allaei

8 works

Department of Physics, University of Tehran, North Kargar Ave., Tehran 14395-547, Iran

  1. Beyond metals: theoretical discovery of semiconducting MAX phases and their potential application in thermoelectrics

    Mohammad Khazaei, Iraj Maleki, Namitha Anna Koshi +11

    ArticleMXene and MAX Phase MaterialsPhysical Chemistry Chemical Physics20242 citations
    ABI

  2. <scp>LAX</scp> phases: A family of novel stable layered materials, informatics‐based discovery

    Ehsan Alibagheri, Mohammad Khazaei, Mehdi Estili +5

    ArticleMXene and MAX Phase MaterialsInfoMat20252 citations
    ABI

  3. Driving catalytic carbyne formation within endohedral DWCNTs: the role of Ni <i>vs.</i> Pt

    Kamoliddin Mehmonov, Aziza Ergasheva, S. Mehdi Vaez Allaei +2

    ArticleDiamond and Carbon-based Materials ResearchNanoscale20251 citations
    ABI

  4. Polytelluride square planar chain-induced anharmonicity results in ultralow thermal conductivity and high thermoelectric efficiency in Al<sub>2</sub>Te<sub>5</sub> monolayers

    Iraj Maleki, S. Mehdi Vaez Allaei, S. Shahab Naghavi

    ArticleAdvanced Thermoelectric Materials and DevicesPhysical Chemistry Chemical Physics20240 citations
    ABI

  5. Crystal phase transformation controlling crack propagation and interaction between cracks: A molecular dynamics simulation in <i>α</i> -Fe

    Mohammad Nourbakhsh, Ali Pourkamali Anaraki, Javad Kadkhodapour +2

    ArticleMicrostructure and mechanical propertiesJournal of Applied Physics20250 citations
    ABI

  6. Potential functional changes in native lysozyme induced by carbon nanotubes studied by molecular dynamics simulations

    S. Mehdi Vaez Allaei, Mehriar Amininasab, Hrachya Ishkhanyan +1

    ArticleEnzyme Structure and FunctionScientific Reports20250 citations
    ABI

  7. Synthesizable Two-Dimensional Haeckelites with Auxetic Behavior and Multifunctional Properties: A Computational Study Integrating Machine Learning Interatomic Potentials

    Ehsan Alibagheri, Mohammad Khazaei, Bassam Rabihavi +3

    ArticleMachine Learning in Materials ScienceACS Materials Letters20250 citations
    ABI

  8. Data-driven discovery of novel synthesizable MAX phase materials

    Ehsan Alibagheri, Mohammad Khazaei, Mehdi Estili +3

    ArticleMXene and MAX Phase MaterialsApplied Materials Today20250 citations
    ABI