Works citing this work

11 works

Work: Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation

1. Exploring the structural, opto-electronics and elastic properties of fluoro-perovskites KXF3 (X = Ir, Rh): A first-principles study

   Ali Algahtani, Naimat Ullah Khan, Abdullah Abdullah +8

   ArticleHeusler alloys: electronic and magnetic propertiesInorganic Chemistry Communications20235 citations

   ABIABI:AkademIndex/openalex/2026.other.096098

2. 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

   ArticleAdvanced Chemical Physics StudiesThe Journal of Physical Chemistry C20121 citations

   ABIABI:AkademIndex/openalex/2012.article.000003

3. Exchange and correlation interactions and band structure of non-close-packed solids

   G. V. Grushevskaya, L I Komarov, Л. И. Гурский

   ArticleSolid-state spectroscopy and crystallographyPhysics of the Solid State19980 citations

   ABIABI:AkademIndex/openalex/1998.article.000062

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

   Polina Tereshchuk, Juarez L. F. Da Silva

   ArticleAdvanced Chemical Physics StudiesThe Journal of Physical Chemistry C20130 citations

   ABIABI:AkademIndex/openalex/2013.article.000048

5. Dynamics and stability of icosahedral Fe–Pt nanoparticles

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

   Articlenanoparticles nucleation surface interactionsPhysical Chemistry Chemical Physics20150 citations

   ABIABI:AkademIndex/openalex/2015.article.000181

6. 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

   ArticleElectrocatalysts for Energy ConversionJournal of Materials Chemistry A20160 citations

   ABIABI:AkademIndex/openalex/2016.article.000344

7. First-principles investigation of the equation of state and elastic properties of perovskite-type SrW(O,N)3 under hydrostatic pressures up to 139 GPa

   Ehsan Zahedi, Mirabbos Hojamberdiev

   ArticleHigh-pressure geophysics and materialsThe European Physical Journal B20170 citations

   ABIABI:AkademIndex/openalex/2017.article.000183

8. A thin and high-strength composite polymer solid-state electrolyte with a highly efficient and uniform ion-transport network

   Peiran Shi, Jiabin Ma, Yanfei Huang +6

   ArticleAdvanced Battery Materials and TechnologiesJournal of Materials Chemistry A20210 citations

   ABIABI:AkademIndex/openalex/2021.article.000052

9. Electronic, magneto-optic and band alignments of MnO2/AlN and MnO2/SiC topological vdW hetrostructures: A DFT study

   Abdulrahman Qais Khaleel, Abhinav Kumar, Farag M. A. Altalbawy +7

   Article2D Materials and ApplicationsSolid State Communications20250 citations

   ABIABI:AkademIndex/openalex/2025.article.005034

10. Investigating the capacity of Co-doped BN-yne in catalyzing the dissociation of carbon dioxide through density functional theory computations

    Ali B.M. Ali, Narinderjit Singh Sawaran Singh, Luma Hussain Saleh +8

    ArticleCarbon dioxide utilization in catalysisJournal of the Indian Chemical Society20250 citations

    ABIABI:AkademIndex/openalex/2025.article.007788

11. Tailoring the optical and thermodynamic response of bulk Cs2 GeTmI6 via vacuum Thickness: First principle study

    Shabir Ali, Ali B.M. Ali, Xinhua Wang +6

    ArticlePerovskite Materials and ApplicationsInternational Journal of Modern Physics C20250 citations

    ABIABI:AkademIndex/openalex/2025.article.009999