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Работы, цитирующие эту работу

Работ: 153

Работа: Generalized Gradient Approximation Made Simple

  1. Epoxy coating as effective anti-corrosive polymeric material for aluminum alloys: Formulation, electrochemical and computational approaches

    Omar Dagdag, Авни Бериша, Valbonë Mehmeti +7

    СтатьяCorrosion Behavior and InhibitionJournal of Molecular Liquids2021Цитирований: 16
    ABI

  2. Impact of halogens modifications on physical characteristics of lead-free hybrid double perovskites compounds Cs2YCuX6 (X=Cl, Br, and I) for energy storage applications: First principles investigations

    Abrar Nazir, Ejaz Ahmad Khera, Khaled Althubeiti +4

    СтатьяPerovskite Materials and ApplicationsChemical Physics2024Цитирований: 11
    ABI

  3. DFT insights for thermoelectric characteristics of Sr3AsI3 for energy harvesting applications by TB-mBJ studies

    Abrar Nazir, Ejaz Ahmad Khera, Mumtaz Manzoor +6

    СтатьяAdvanced Thermoelectric Materials and DevicesInorganic Chemistry Communications2024Цитирований: 8
    ABI

  4. Exploring electron energy dependencies in the formation of surface charge on ZnO crystals

    Utkirjon Sharopov, Kamoliddin Samiev, Akbarjon To'raev +14

    СтатьяZnO doping and propertiesVacuum2024Цитирований: 8
    ABI

  5. Electronic, mechanical, optical and piezoelectric properties of glass-like sodium silicate (Na<sub>2</sub>SiO<sub>3</sub>) under compressive pressure

    R. Zosiamliana, Lalrinkima Lalrinkima, B. Chettri +3

    СтатьяGlass properties and applicationsRSC Advances2022Цитирований: 6
    ABI

  6. Thermoelectric investigation of transition metal oxide <scp> NiO <sub>2</sub> </scp> : A first principles study

    Aadil Fayaz Wani, Bindu Rani, U. B. Sharopov +2

    СтатьяAdvanced Thermoelectric Materials and DevicesInternational Journal of Energy Research2022Цитирований: 5
    ABI

  7. A striking catalytic effect of facile synthesized ZrMn<sub>2</sub> nanoparticles on the de/rehydrogenation properties of MgH<sub>2</sub>

    Liuting Zhang, Zeliang Cai, Zhendong Yao +8

    СтатьяHydrogen Storage and MaterialsJournal of Materials Chemistry A2019Цитирований: 4
    ABI

  8. Electronic, mechanical and piezoelectric properties of glass-like complex Na<sub>2</sub>Si<sub>1−<i>x</i></sub>Ge<sub><i>x</i></sub>O<sub>3</sub> (<i>x</i> = 0.0, 0.25, 0.50, 0.75, 1.0)

    R. Zosiamliana, B. Chettri, Guilherme S. L. Fabris +4

    СтатьяFerroelectric and Piezoelectric MaterialsRSC Advances2022Цитирований: 4
    ABI

  9. <scp>SiH monolayer</scp> : A promising <scp>two‐dimensional</scp> thermoelectric material

    Aadil Fayaz Wani, Bindu Rani, Shobhna Dhiman +2

    СтатьяAdvanced Thermoelectric Materials and DevicesInternational Journal of Energy Research2022Цитирований: 3
    ABI

  10. Study of structural, electronic, mechanical, optical and thermoelectric properties of As based halide-perovskites Ba3AsX3 (X= F, Cl): A first-principles insights

    Shereen M. Al‐Shomar, Maryam Liaqat, Iqra Anmol +12

    СтатьяHeusler alloys: electronic and magnetic propertiesJournal of Materials Research and Technology2024Цитирований: 3
    ABI

  11. A Thorough Investigation of Electronic, Optical, Mechanical, and Thermodynamic Properties of Stable Glasslike Sodium Germanate under Compressive Hydrostatic Pressure: Ab Initio Study

    Zosiamliana Renthlei, M. Prasad, Juluru Sivakumar +7

    СтатьяGlass properties and applicationsACS Omega2023Цитирований: 3
    ABI

  12. An aminopyrimidine-functionalized cage-based metal–organic framework exhibiting highly selective adsorption of C<sub>2</sub>H<sub>2</sub> and CO<sub>2</sub> over CH<sub>4</sub>

    Jingjing Jiao, Li Dou, Huimin Liu +6

    СтатьяMetal-Organic Frameworks: Synthesis and ApplicationsDalton Transactions2016Цитирований: 2
    ABI

  13. Pt<sub>3</sub>clusters-decorated Co@Pd and Ni@Pd model core–shell catalyst design for the oxygen reduction reaction: a DFT study

    Yu Zhuang, Jyh‐Pin Chou, Pang-Yu Liu +4

    СтатьяElectrocatalysts for Energy ConversionJournal of Materials Chemistry A2018Цитирований: 2
    ABI

  14. Effect of chemical modification on electronic transport properties of carbyne

    G. R. Berdiyorov, Umedjon Khalilov, Hicham Hamoudi +1

    СтатьяMolecular Junctions and NanostructuresJournal of Computational Electronics2021Цитирований: 2
    ABI

  15. Molecular levels unveil the membrane fouling mitigation mechanism of a superpotent N-rGO catalytic ozonation membrane: Interfacial catalytic reaction pathway and induced EfOM transformation reactions

    Zilong Song, Zhenbei Wang, Jun Ma +12

    СтатьяMembrane Separation TechnologiesApplied Catalysis B: Environmental2022Цитирований: 2
    ABI

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

    Mohammad Khazaei, Iraj Maleki, Namitha Anna Koshi +11

    СтатьяMXene and MAX Phase MaterialsPhysical Chemistry Chemical Physics2024Цитирований: 2
    ABI

  17. DFT-Based Investigation of Opto-Electronic, Mechanical, and Thermoelectric Properties of Sr2YBiO6 for Green Energy Applications

    Aparna Dixit, Arti Saxena, Mumtaz Manzoor +6

    СтатьяAdvanced Thermoelectric Materials and DevicesJournal of Inorganic and Organometallic Polymers and Materials2025Цитирований: 2
    ABI

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

    Ehsan Alibagheri, Mohammad Khazaei, Mehdi Estili +5

    СтатьяMXene and MAX Phase MaterialsInfoMat2025Цитирований: 2
    ABI

  19. DFT study the application of carbon nitride monolayer with graphenylene networks for sensing of carmustine drug

    Ali B.M. Ali, Ammar Yasir Ahmed, G. Padma Priya +8

    СтатьяGraphene research and applicationsJournal of Molecular Graphics and Modelling2025Цитирований: 2
    ABI

  20. Mechanism of oxygen generation via the oxygen evolution reaction in transition metal chalcogenides: A theoretical study

    Chou‐Yi Hsu, Ali B.M. Ali, Ammar Yasir Ahmed +8

    СтатьяElectrocatalysts for Energy ConversionJournal of environmental chemical engineering2025Цитирований: 2
    ABI

  21. Synergistic effect by supported activated carbon between functional groups and metal oxygen vacancies: enhancing ibuprofen degradation by improving ozone mass transfer

    Junda Lai, Zizheng Huangfu, Jiewen Xiao +11

    СтатьяCatalytic Processes in Materials ScienceEnvironmental Science Water Research & Technology2024Цитирований: 2
    ABI

  22. Layered Na5V12O32 nanowires with enhanced properties of removing Pb2+ in aqueous solution by chemical reaction

    Dong Fang, Xueliu Xu, Rui Bao +5

    СтатьяAdvanced Photocatalysis TechniquesJournal of environmental chemical engineering2020Цитирований: 2
    ABI

  23. Ethanol and Water Adsorption on Close-Packed 3d, 4d, and 5d Transition-Metal Surfaces: A Density Functional Theory Investigation with van der Waals Correction

    Polina Tereshchuk, Juarez L. F. Da Silva

    СтатьяAdvanced Chemical Physics StudiesThe Journal of Physical Chemistry C2012Цитирований: 1
    ABI

  24. First-principles calculations on the electronic structure and thermoelectric properties of quaternary Heusler compounds: LiScPtSi and LiScPdGe

    Jaspal Singh, Kulwinder Kaur, Muzzammil Ahmad Bhat +5

    СтатьяHeusler alloys: electronic and magnetic propertiesMaterials Today Communications2022Цитирований: 1
    ABI

  25. Exploring the effect of partial B-site Al<sup>3+</sup>–Mg<sup>2+</sup> dual substitution on optoelectronic, surface, and photocatalytic properties of BaTaO<sub>2</sub>N

    Mirabbos Hojamberdiev, Ronald Vargas, Zukhra C. Kadirova +2

    СтатьяElectronic and Structural Properties of OxidesMaterials Advances2022Цитирований: 1
    ABI