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153 ta ish

Ish: Generalized Gradient Approximation Made Simple

  1. Tuning hydrogen evolution reaction activity via isomeric design of B28-based single-atom catalysts

    Narinderjit Singh Sawaran Singh, Ahmed Aldulaimi, Omayma Salim Waleed +8

    MaqolaElectrocatalysts for Energy ConversionJournal of Physics and Chemistry of Solids20250 iqtibos
    ABI

  2. Designing dual-atom catalysts for CO2 reduction reactions: Synergistic effects of Ni-Fe in the NiFeN5P/C60

    Qamar Abuhassan, Ahmed Aldulaimi, Omayma Salim Waleed +8

    MaqolaCO2 Reduction Techniques and CatalystsChemical Physics Letters20250 iqtibos
    ABI

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

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

    MaqolaBone Tissue Engineering MaterialsEurasian Journal of Chemistry20250 iqtibos
    ABI

  4. Theoretical study of graphenylene -like boron phosphide monolayer as an encouraging anode electrode material for Ca-ion batteries

    Qamar Abuhassan, Ahmed Aldulaimi, Omayma Salim Waleed +8

    MaqolaAdvancements in Battery MaterialsJournal of Molecular Graphics and Modelling20250 iqtibos
    ABI

  5. A General Selenium-Anchoring Strategy for the Synthesis of Subnanometer Metal Cluster Catalysts

    Weiming Chen, Jing Xia, Zhiyi Sun +7

    MaqolaAsymmetric Hydrogenation and CatalysisACS Catalysis20250 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 Chemistry20250 iqtibos
    ABI

  7. Magnetic and Magnetocaloric Characteristics of Mixed Manganese Pnictides

    V. I. Mitsiuk, A. L. Zheludkevich, V. I. Val’kov +6

    MaqolaMagnetic and transport properties of perovskites and related materialsThe Physics of Metals and Metallography20250 iqtibos
    ABI

  8. Selenium-Based Hetero-Circulene Monolayer: Coexistence of Massless Dirac Fermions, Heavy Fermions and Semiconductivity in a Single Quantum Platform with Lithium-Ion Battery Applications

    Naga Venkateswara Rao Nulakani, Yarjan Abdul Samad, Ameen Shahid +2

    PreprintGraphene research and applicationsSSRN Electronic Journal20250 iqtibos
    ABI

  9. Waste to Catalyst: Tuning Structure and Composition of Ferrous Scrap‐Derived Alloys by Rapid Solidification for Advanced Catalysis

    Yonghui Wang, Yifan Cui, Bing Li +10

    MaqolaAdvanced oxidation water treatmentAdvanced Materials20260 iqtibos
    ABI

  10. A Comparative DFT Study of the Adsorption of SF6 Decomposition Gas Species (SO2, SO2F2, and SOF4) on Si- and Al-Modified MoSTe Nanosheets: Application to Gas Sensors

    Qamar Abuhassan, Ahmed Aldulaimi, Omayma Salim Waleed +8

    Maqola2D Materials and ApplicationsJournal of Electronic Materials20260 iqtibos
    ABI

  11. Exploring the semiconductor character of Z2SbAuF6 (Z=K, Rb) halide double perovskites for the latest technology applications

    Iftikhar Ahmed, Amina Gilani, Calvyn T. Howells +9

    MaqolaHeusler alloys: electronic and magnetic propertiesMaterials Chemistry and Physics20260 iqtibos
    ABI

  12. Boosting nitrate-to-ammonia electrocatalysis through CoP-embedded phosphide doped carbon: Unrivaled efficiency and durability

    Rabia Nawaz, Sajid Mahmood, Anum Bilal +10

    MaqolaAmmonia Synthesis and Nitrogen ReductionInternational Journal of Hydrogen Energy20260 iqtibos
    ABI

  13. Tailoring the thermodynamic stability of K2ScAgZ6 (Z Cl, Br, I) double halide perovskite at elevated pressure and temperature: A DFT-based analysis

    Shabir Ali, Ali B.M. Ali, Xinhua Wang +5

    MaqolaThermal Expansion and Ionic ConductivityChemical Physics20260 iqtibos
    ABI

  14. Role of surface terminations in enhancing CrTe2 MXene performance for LIBs

    Qamar Abuhassan, Ahmed Aldulaimi, Omayma Salim Waleed +8

    MaqolaMXene and MAX Phase MaterialsJournal of Molecular Graphics and Modelling20260 iqtibos
    ABI

  15. Comprehensive Physicochemical Investigation of a Water-Soluble Adduct of C <sub>70</sub> with <scp>l</scp> -Methionine and <scp>l</scp> -Cysteine

    Konstantin N. Semenov, Ali Mlhem, Alexander V. Akentiev +13

    MaqolaFullerene Chemistry and ApplicationsJournal of Chemical & Engineering Data20260 iqtibos
    ABI

  16. Interfacial interactions and free volume in multicomponent titanium-based carbon-nitrides coatings

    Matlab N. Mirzayev, A. Atilgan, S.F. Samadov +12

    MaqolaMuon and positron interactions and applicationsCeramics International20260 iqtibos
    ABI

  17. Regulation of the Thermal and Electrical Transport Properties of Large-Pore Borophene Nanoribbons Based on Molecular Surface Adsorption Engineering

    Xinlei Zhang, Cunjia Pan, Bakhtiyor A. Rasulov +1

    MaqolaThermal properties of materialsLangmuir20260 iqtibos
    ABI

  18. Efficient storage and separation of methane using the metal–organic frameworks M2(m-dobdc)(M = Fe, Co, Ni, and Cu): a first-principles study

    Ali M. Hussein, Narinderjit Singh Sawaran Singh, Muktha Eti +8

    MaqolaMetal-Organic Frameworks: Synthesis and ApplicationsTransition Metal Chemistry20260 iqtibos
    ABI

  19. Graphene-like BeN3 monolayer as an advanced anode material for Mg-ion batteries: Density functional theory study

    Qamar Abuhassan, Ghaleb A. Oriquat, Narinderjit Singh Sawaran Singh +8

    MaqolaAdvancements in Battery MaterialsJournal of Electroanalytical Chemistry20260 iqtibos
    ABI

  20. Enhancing CO2 adsorption capacity of C60 fullerene through boron doping and lithium decoration: A DFT study

    Qamar Abuhassan, Omayma Salim Waleed, G. Padma Priya +8

    MaqolaFullerene Chemistry and ApplicationsPolyhedron20260 iqtibos
    ABI

  21. A Defect-Engineered High-Entropy Alloy (Al–Cu–Fe–Ni–Ti) Unlocks Enhanced Hydrogen Evolution Performance

    Yogesh Kumar Yadav, Moumita Kotal, Caique Campos de Oliveira +6

    MaqolaHigh Entropy Alloys StudiesACS Applied Energy Materials20260 iqtibos
    ABI

  22. Interface manipulation of d-band center by single-atom iron cathodic electroactive membrane to boost molecular oxygen activation for antibiotics removal in pharmaceutical tailwater

    Ruijun Ren, Q L Zhang, Jiangqi Qu +11

    MaqolaAdvanced oxidation water treatmentWater Research20260 iqtibos
    ABI

  23. Lithium-decorated porous BC <sub>2</sub> P monolayer: a novel high-capacity material for efficient and reversible hydrogen molecule storage

    Qamar Abuhassan, Luma Hussain Saleh, G. PadmaPriya +8

    MaqolaBoron and Carbon Nanomaterials ResearchNew Journal of Chemistry20260 iqtibos
    ABI

  24. Mechanistic pathways of OER and HER on transition metal-supported NbO2 electrocatalysts: a theoretical study

    Qamar Abuhassan, Ghaleb Oriquat, Omayma Salim Waleed +8

    MaqolaElectrocatalysts for Energy ConversionApplied Physics A20260 iqtibos
    ABI

  25. Metal-decorated carbon-doped BN fullerenes as highly efficient materials for solid-state hydrogen storage: insights from DFT calculations

    Qamar Abuhassan, Luma Hussain Saleh, G. PadmaPriya +8

    MaqolaBoron and Carbon Nanomaterials ResearchNew Journal of Chemistry20260 iqtibos
    ABI