Ahmed Hamad Ati

Selected publications

Title Year Journal Downloads
First-principles study of half-metallicity bulk rocksalt structure of CsTe and its surfaces 2020 Journal of Electron Spectroscopy and Related Phenomena 1 download 0
Bulk and surfaces half-metallicity of RbSe with zinc-blende structure: first-principles study 2020 Applied Physics A 1 download 0
Computational study of half-metallic behavior, optoelectronic and thermoelectric properties of new XAlN3 (X = K, Rb, Cs) perovskite materials 2024 Journal of Physics and Chemistry of Solids 1 download 0
High-throughput screening of MXenes for hydrogen storage via graph neural network 2023 Applied Surface Science 1 download 0
The relationship between activated H2 bond length and adsorption distance on MXenes identified with graph neural network and resonating valence bond theory 2023 The Journal of Chemical Physics 1 download 0
Bulk, surfaces, and interface investigations of electronic and magnetic properties: A case of the half-Heusler alloy MgCaB 2021 Physics Letters A 1 download 0
Electronic and magnetic properties of bulk and surfaces half-Heusler alloy KCaB and its bulk thermoelectric properties 2021 International Journal of Modern Physics B 1
Introducing Noble Gas as Space Holder under High Pressure to Design Porous Titanium Carbides with Open Metal Sites for Hydrogen Storage at Near-Ambient Conditions 2024 Journal of the American Chemical Society 1 download 0
Hydrogen Adsorption on Type-5 Penta-MgN8 Sheet, Nanotube, and 3D Porous Structure 2024 ACS Applied Materials & Interfaces 1 download 0
A computational study of hydrogen adsorption on penta-NiN2 sheet and nanotubes 2024 International Journal of Hydrogen Energy 1 download 0
The structural, electronic, magnetic, and optical properties of CsTe monolayer: effects of the biaxial strain and electrical field 2022 Journal of Electronic Materials 1 download 0
Computational Design of 3D Porous Aluminum Nitride Assembled From AlN‐Biphenylene Nanoribbons for Reversible Hydrogen Storage 2025 Advanced Theory and Simulations 1 download 0