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25 ta ish

Ish: <i>Ab initio</i>molecular dynamics for liquid metals

  1. Hydride electronics

    Smagul Karazhanov, P. Ravindran, Ponniah Vajeeston +1

    MaqolaOchiq kirish20073 iqtibos
    ABI

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

    Mohammad Khazaei, Iraj Maleki, Namitha Anna Koshi +11

    MaqolaMXene and MAX Phase MaterialsPhysical Chemistry Chemical Physics20242 iqtibos
    ABI

  3. Semiconducting hydrides

    Smagul Karazhanov, A. Ulyashin, P. Ravindran +1

    MaqolaOchiq kirish20082 iqtibos
    ABI

  4. Suppressed Defects and Improved Stability of All‐Inorganic CsSnI <sub>3</sub> Films by Solid Additive‐Assisted Chemical Vapor Deposition Process

    Hongyu Li, Chao Ye, Yichen Jin +10

    MaqolaPerovskite Materials and ApplicationsSmall20251 iqtibos
    ABI

  5. The effect of non-stoichiometry in Sb2Se3 films on their phonon and electronic properties in the infrared range

    B. Andriyevsky, Leszek Bychto, A. Patryn +14

    MaqolaOchiq kirishChalcogenide Semiconductor Thin FilmsScientific Reports20251 iqtibos
    ABI

  6. Molecular Mechanisms of Thiourea in FAPbI3 Perovskites: Phase Stabilization and Defect Passivation

    I. N. Nurgaliev, M. B. Marasulov, Z. N. Zhulliev +2

    MaqolaPerovskite Materials and ApplicationsJournal of Structural Chemistry20251 iqtibos
    ABI

  7. Strain-induced modulation of band structure of silicon

    Smagul Karazhanov, A.Sh. Davletova, A. Ulyashin

    MaqolaOchiq kirish20081 iqtibos
    ABI

  8. Hydrides as materials for semiconductor electronics

    Smagul Karazhanov, A. Ulyashin, Ponniah Vajeeston +1

    Maqola20081 iqtibos
    ABI

  9. Dissociation mechanism of H<sub>2</sub> molecule on the Li<sub>2</sub>O/hydrogenated-Li<sub>2</sub>O (111) surface from first principles calculations

    Xianggang Kong, You Yu, Shenggui Ma +3

    MaqolaOchiq kirishAmmonia Synthesis and Nitrogen ReductionRSC Advances20171 iqtibos
    ABI

  10. Orientation-selective contact barrier modulation by NO2 adsorption in graphene/Janus B2SeTe heterostructures

    Tolib Zokirjonovich, Fakhriddin Safarov, Asif Asadov +6

    MaqolaOchiq kirish20260 iqtibos
    ABI

  11. Classification of hydrides according to features of band structure

    Smagul Karazhanov, U. Sheripov, A. Ulyashin

    MaqolaOchiq kirishHydrogen Storage and MaterialsThe Philosophical Magazine A Journal of Theoretical Experimental and Applied Physics20090 iqtibos
    ABI

  12. Structural instabilities and mechanical properties of U<sub>2</sub>Mo from first principles calculations

    Liu Ben-Qiong, Xiaoxi Duan, Guangai Sun +2

    MaqolaOchiq kirishBoron and Carbon Nanomaterials ResearchPhysical Chemistry Chemical Physics20140 iqtibos
    ABI

  13. First principles study of electronic structure, structural and optical properties of Mg3Si2O5(OH)4

    G.A. Adebayo, Zh. Zhanabergenov, U. Ernazarov +2

    MaqolaGlass properties and applicationsApplied Clay Science20140 iqtibos
    ABI

  14. Local heterojunctions of atomic Pt clusters boost the oxygen reduction activity of Rucore@Pdshell nanocrystallites

    Jeng‐Han Wang, Kuan‐Wen Wang, Tian-Lin Chen +4

    MaqolaElectrocatalysts for Energy ConversionJournal of Materials Chemistry A20160 iqtibos
    ABI

  15. A first-principles study of the avalanche pressure of alpha zirconium

    Qing Peng, Wei Ji, Jie Lian +4

    MaqolaHigh-pressure geophysics and materialsRSC Advances20160 iqtibos
    ABI

  16. Collaboration between a Pt-dimer and neighboring Co–Pd atoms triggers efficient pathways for oxygen reduction reaction

    Haolin Li, Sheng Dai, Dinesh Bhalothia +3

    MaqolaElectrocatalysts for Energy ConversionPhysical Chemistry Chemical Physics20200 iqtibos
    ABI

  17. Prediction of the Au<sub>4</sub>S crystal <i>via</i> a superatom network model: from clusters to solids

    Qiman Liu, Chengyu Zhang, Chang Xu +2

    MaqolaNanocluster Synthesis and ApplicationsPhysical Chemistry Chemical Physics20200 iqtibos
    ABI

  18. Interfacial atomic Ni tetragon intercalation in a NiO<sub>2</sub>-to-Pd hetero-structure triggers superior HER activity to the Pt catalyst

    Haolin Li, Sheng Dai, Dinesh Bhalothia +3

    MaqolaElectrocatalysts for Energy ConversionJournal of Materials Chemistry A20210 iqtibos
    ABI

  19. Magnetic interactions in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mrow><mml:mo>(</mml:mo><mml:msub><mml:mi>Mo</mml:mi><mml:mrow><mml:mn>2</mml:mn><mml:mo>/</mml:mo><mml:mn>3</mml:mn></mml:mrow></mml:msub><mml:msub><mml:mi>R</mml:mi><mml:mrow><mml:mn>1</mml:mn><mml:mo>/</mml:mo><mml:mn>3</mml:mn></mml:mrow></mml:msub><mml:mo>)</mml:mo></mml:mrow><mml:mn>2</mml:mn></mml:msub><mml:mi>AlC</mml:mi></mml:mrow></mml:math> rare-earth <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>i</mml:mi><mml:mtext>−</mml:mtext><mml:mi>MAX</mml:mi></mml:mrow></mml:math> phases (<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mi>R</mml:mi></mml:math>= Nd, Sm, Gd, Tb, Dy, Ho, and Er) from first principles and experiment

    Daniel Potashnikov, E. N. Caspi, Quanzheng Tao +4

    MaqolaOchiq kirishMXene and MAX Phase MaterialsPhysical review. B./Physical review. B20250 iqtibos
    ABI

  20. Dynamic Surface Reconstruction in Machine-Learning-Predicted Cu <sub>3</sub> MoP Governs Selective CO Electroreduction to C <sub>2</sub> <sup>+</sup> Products

    Hafiz Ghulam Abbas, Jae Ryang Hahn

    MaqolaCO2 Reduction Techniques and CatalystsThe Journal of Physical Chemistry C20250 iqtibos
    ABI

  21. Bioactive Chitosan/β-Tricalcium Phosphate Coatings on Titanium: Experimental Optimization and DFT Insight

    Rakiya Yu. Milusheva, И. Н. Нургалиев, Akmal Abilkasimov +1

    MaqolaOchiq kirishBone Tissue Engineering MaterialsEurasian Journal of Chemistry20250 iqtibos
    ABI

  22. Investigation of CO2, NO2, SO2, and H2O Gas Adsorption on Al2O3, TiO2, and SiO2 Surfaces

    Davron Sh. Kurbanov, Komiljon Yakubov, Vinoth Kumar Kazi +4

    MaqolaOchiq kirishGas Sensing Nanomaterials and SensorsChemosensors20260 iqtibos
    ABI

  23. Unveiling the thermoelectric potential of wide-bandgap 2D Janus BiXY (X = S, Se; Y = F, Cl, Br, I) monolayers: A DFT study

    A. Mustaqeem, S. Mehmood, Izhar Ullah +5

    Maqola20260 iqtibos
    ABI

  24. Strain-tunable gas sensing potential of Janus B2SeTe monolayers toward NO2, NH3, CO2, and CH2O: A DFT study

    Fakhriddin Safarov, Zukhriddin Ruziev, Jumaev Mukhtor Fatullaevich +3

    Maqola20260 iqtibos
    ABI

  25. The Roles of Aluminum, Magnesium, and Vanadium on the Dissolution and Diffusion Properties of Hydrogen in Titanium Hydrides

    Tao Wang, Jie Li, Pan Dong +3

    MaqolaOchiq kirish20260 iqtibos
    ABI