An ab-initio study of structure and mechanical properties of rocksalt ZrN and its bilayers F Shirvani, A Shokri, BA Ravan Solid State Communications 328, 114218, 2021 | 16 | 2021 |
Alloying of monolayer zirconium nitride with magnesium and investigating its thermoelectric properties using dft calculations F Shirvani, A Shokri, BA Ravan, MSA Khezrabad Solid State Communications 343, 114642, 2022 | 12 | 2022 |
Photocatalytic applicability of HfN and tuning it with Mg and Sc alloys: A DFT and molecular dynamic survey F Shirvani, A Shokri Physica B: Condensed Matter 649, 414459, 2023 | 10 | 2023 |
Energy storage applicability of novel two-dimensional transition metal nitride alloys: First principle study F Shirvani, M Masoudi Solid State Communications 358, 115002, 2022 | 10 | 2022 |
Electronic, elastic and thermodynamic properties of TixZr1− xN compounds determined via first-principles calculations F Shirvani, A Shokri, BA Ravan Physica B: Condensed Matter 618, 413135, 2021 | 9 | 2021 |
Investigating structural, electronic and optical properties of Sc2CF2@ Fe MXene: A first principle study F Shirvani, A Shokri Physica B: Condensed Matter 666, 415124, 2023 | 7 | 2023 |
Electrical and optical properties of PbSe/PbTe heterostructures containing vacancies, doping, and alloys using first-principle calculations F Shirvani, A Shokri The European Physical Journal Plus 138 (3), 204, 2023 | 5 | 2023 |
The role of alloying carbon on thermodynamic properties of ZrN: A first principle study F Shirvani, A Shokri, BA Ravan Solid State Communications 361, 115076, 2023 | 5 | 2023 |
Effect of alloying Li on lithium-ion batteries applicability of two-dimensional TiN and TiC as novel electrode materials: a first principle study F Shirvani, MR Jafari, A Shokri Scientific Reports 13 (1), 15680, 2023 | 4 | 2023 |
A density functional theory study on supercapacitor electrode applicability of ZnO/TiC heterostructure along with its vacancies, covacancies, codoped, alloys and coalloys F Shirvani, MR Jafari, A Shokri The European Physical Journal Plus 138 (7), 651, 2023 | 4 | 2023 |
The thermoelectric properties of novel two-dimensional semiconductor ZrNBr alloyed with Fluorine: A DFT+ U survey F Shirvani, Z Razavifar Journal of Physics and Chemistry of Solids 185, 111779, 2024 | 3 | 2024 |
First-principle study on the structural, phonon, thermodynamic, and electronic properties of the semimetal mono-layer AsP3 M Masoudi, T Shirnezhad, F Shirvani Chinese Journal of Physics 87, 28-35, 2024 | 3 | 2024 |
Superconductivity and thermodynamic properties of MPb7 (M= Al, Mg) compounds: A first principles study F Shirvani, A Shokri Solid State Communications 371, 115282, 2023 | 2 | 2023 |
Exploring superconductivity, supercapacitance and thermoelectric properties of NbCr2 and its alloys with Li and Mg: A first-principles Investigation F Shirvani, MR Jafari, A Shokri Journal of Energy Storage 99, 113298, 2024 | | 2024 |
Studying supercapacitance and thermoelectric performance of semiconductor BaTiO3 along with its halfmetal alloy of BaTiFO2: A DFT+ U investigation F Shirvani, MR Jafari, A Shokri Journal of Physics and Chemistry of Solids 193, 112173, 2024 | | 2024 |
Effect of vacancy, doping and alloying on supercapacitance properties of monolayer CrN/CuN heterostructure as an electrode material: A first principle study F Shirvani, MR Jafari, A Shokri Physica B: Condensed Matter, 416168, 2024 | | 2024 |