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Computational Materials Science

12 works

Journal · ISSN 0927-0256

  1. A new semiempirical electronic structure and total energy calculation method for solids and large molecules

    Z. M. Khakimov

    ArticleAdvanced Chemical Physics StudiesComputational Materials Science19948 citations
    ABI

  2. Bulk Si1−xGex single- and poly-crystals: a new prospective material for electronics

    I. G. Atabaev

    ArticleSemiconductor materials and interfacesComputational Materials Science20013 citations
    ABI

  3. High-temperature thermoelectric performance of spinel MgGa2O4 through a first-principles and Boltzmann transport study

    Zahid Ullah, Muhammad Amir Khan, Sattam Al Otaibi +2

    ArticleAdvanced Thermoelectric Materials and DevicesComputational Materials Science20253 citations
    ABI

  4. Low-energy P+ ion channeling and implantation into Si(110), SiC(110), GaP(110) and GaAs(110)

    A. M. Rasulov, A.A. Dzhurakhalov

    ArticleIon-surface interactions and analysisComputational Materials Science20052 citations
    ABI

  5. Study of ion scattering and dechanneling from surface defect structure by computer simulation

    A.A. Dzhurakhalov, B.S. Kalandarov, Munis Kurbonov +2

    ArticleIon-surface interactions and analysisComputational Materials Science20022 citations
    ABI

  6. Computer simulation of sputtering and oxygen desorption processes at grazing ion bombardment of Ag( 110 ) surface

    A.A. Dzhurakhalov, S.E. Rahmatov, N.A. Teshabaeva +1

    ArticleIon-surface interactions and analysisComputational Materials Science20031 citations
    ABI

  7. Sputtering of ice films by the bombardment of Ar+ ions

    Uchkun Kutliev

    ArticleIon-surface interactions and analysisComputational Materials Science20081 citations
    ABI

  8. Investigation of sputtering and oxygen desorption processes by binary collision approximation method

    A.A. Dzhurakhalov, S.E. Rahmatov, H. Dreyssé

    ArticleIon-surface interactions and analysisComputational Materials Science20050 citations
    ABI

  9. Influence of Ge content on formation of radiation defects in Si1−xGex solid solutions

    I. G. Atabaev, N. A. Matchanov, А. Yusupov +2

    ArticleSilicon Effects in AgricultureComputational Materials Science20080 citations
    ABI

  10. Electronic transport calculations for CO2 adsorption on calcium-decorated graphene nanoribbons

    F. Boltayev, G. Eshonqulov, G. R. Berdiyorov

    ArticleGraphene research and applicationsComputational Materials Science20180 citations
    ABI

  11. Electronic transport of CNT-encapsulated carbyne

    G. R. Berdiyorov, G. Eshonqulov, Hicham Hamoudi

    ArticleGraphene research and applicationsComputational Materials Science20200 citations
    ABI

  12. Adsorption properties of N containing N2O, NH3, NO and NO2 gas molecules on the novel TiO2 doped MoSe2 heterostructure system: A systematic DFT study

    Shaker Al‐Hasnaawei, Farag M. A. Altalbawy, Prakash Kanjariya +6

    Article2D Materials and ApplicationsComputational Materials Science20250 citations
    ABI