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Работы, цитирующие эту работу

Работ: 64

Работа: Efficient iterative schemes for<i>ab initio</i>total-energy calculations using a plane-wave basis set

  1. 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

  2. Probing the physical properties of Sr3AsX3 (X = F and Br) perovskite compounds for prospective solar cell applications employing the DFT framework

    Ali Algahtani, Amina, Fida Rehman +8

    СтатьяPerovskite Materials and ApplicationsInorganic Chemistry Communications2024Цитирований: 6
    ABI

  3. 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

  4. 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

  5. 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

  6. 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

  7. <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

  8. 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

  9. Electronic structure, structural and optical properties of thermally evaporated CdTe thin films

    S. Lalitha, Smagul Karazhanov, P. Ravindran +3

    СтатьяChalcogenide Semiconductor Thin FilmsPhysica B Condensed Matter2006Цитирований: 1
    ABI

  10. 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

  11. 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

  12. Theoretical Investigation of Lead Perovskite PbXO<sub>3</sub> (X = Ti, Zr, and Hf) for Potential Thermoelectric Applications: Hybrid-DFT Approach

    Zosiamliana Renthlei, L. Celestine, Lalrin Kima +7

    СтатьяPerovskite Materials and ApplicationsEnergy & Fuels2023Цитирований: 1
    ABI

  13. High thermoelectric and opto-electronic properties of Ba3NX3 (X=F, Cl) perovskite: Insights from DFT computation

    Amnah Mohammed Alsuhaibani, Amina, Fida Rehman +10

    СтатьяPerovskite Materials and ApplicationsRadiation Physics and Chemistry2024Цитирований: 1
    ABI

  14. Two-dimensional metallic Si2BC as a promising and high-performance anode material for magnesium-ion batteries: A DFT study

    Qamar Abuhassan, Mohamed Abu Shuheil, Luma Hussain Saleh +8

    СтатьяAdvancements in Battery MaterialsComputational and Theoretical Chemistry2026Цитирований: 1
    ABI

  15. Ab Initio Study Of Double Oxides ZnX <sub>2</sub> O <sub>4</sub> (X=Al, Ga, In) Having Spinel Structure

    Smagul Karazhanov, P. Ravindran

    СтатьяZnO doping and propertiesJournal of the American Ceramic Society2010Цитирований: 1
    ABI

  16. Effect of oxygen vacancy and surface plasmon resonance: a photocatalytic activity study on Ag/Bi4Ti3O12 nanocomposites

    Shiping Li, Xiaobing Bian, Jianzhi Gao +4

    СтатьяAdvanced Photocatalysis TechniquesJournal of Materials Science Materials in Electronics2017Цитирований: 1
    ABI

  17. 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

    СтатьяAmmonia Synthesis and Nitrogen ReductionRSC Advances2017Цитирований: 1
    ABI

  18. Classification of hydrides according to features of band structure

    Smagul Karazhanov, U. Sheripov, A. Ulyashin

    СтатьяHydrogen Storage and MaterialsThe Philosophical Magazine A Journal of Theoretical Experimental and Applied Physics2009Цитирований: 0
    ABI

  19. A multi-scale approach for performance assessment of hydrogenated graphene Field-Effect Transistors

    Gianluca Fiori, Sébastien Lebègue∥, A. Betti +4

    СтатьяGraphene research and applications2010Цитирований: 0
    ABI

  20. Density Functional Investigation of the Adsorption of Ethanol–Water Mixture on the Pt(111) Surface

    Polina Tereshchuk, Juarez L. F. Da Silva

    СтатьяAdvanced Chemical Physics StudiesThe Journal of Physical Chemistry C2013Цитирований: 0
    ABI

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

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

    СтатьяBoron and Carbon Nanomaterials ResearchPhysical Chemistry Chemical Physics2014Цитирований: 0
    ABI

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

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

    СтатьяGlass properties and applicationsApplied Clay Science2014Цитирований: 0
    ABI

  23. Dynamics and stability of icosahedral Fe–Pt nanoparticles

    Paweł T. Jochym, Jan Łażewski, M. Sternik +1

    Статьяnanoparticles nucleation surface interactionsPhysical Chemistry Chemical Physics2015Цитирований: 0
    ABI

  24. Embedded atom model for the liquid U–10Zr alloy based on density functional theory calculations

    Ning Wang, Tao Jiang, Yanqiu Yang +4

    СтатьяThermodynamic and Structural Properties of Metals and AlloysRSC Advances2015Цитирований: 0
    ABI

  25. First-principles study of line-defect-embedded zigzag graphene nanoribbons: electronic and magnetic properties

    Zhaoyong Guan, Si Chen, Shuanglin Hu +1

    СтатьяGraphene research and applicationsPhysical Chemistry Chemical Physics2016Цитирований: 0
    ABI