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Fatemeh Shirvani

ORCID: 0000-0002-0579-0545
Observed ORCIDs: 0000-0002-0579-0545, 0009-0005-5637-3046
OpenAlex ID: A5073468421
Photocatalytic applicability of HfN and tuning it with Mg and Sc alloys: A DFT and molecular dynamic survey
2022 · Fatemeh Shirvani, Aliasghar Shokri · Physica B Condensed Matter · 20
Alloying of monolayer Zirconium Nitride with Magnesium and investigating its thermoelectric properties using DFT calculations
2022 · Fatemeh Shirvani, Aliasghar Shokri, et al. · Solid State Communications · 20
An ab-initio study of structure and mechanical properties of rocksalt ZrN and its bilayers
2021 · Fatemeh Shirvani, Aliasghar Shokri, et al. · Solid State Communications · 19
Investigating structural, electronic and optical properties of Sc2CF2@Fe MXene: A first principle study
2023 · Fatemeh Shirvani, Aliasghar Shokri · Physica B Condensed Matter · 18
Energy storage applicability of novel two-dimensional transition metal nitride alloys: First principle study
2022 · Fatemeh Shirvani, Maryam Masoudi · Solid State Communications · 15
Effect of alloying Li on lithium-ion batteries applicability of two-dimensional TiN and TiC as novel electrode materials: a first principle study
2023 · Fatemeh Shirvani, Mohammad Reza Jafari, et al. · Scientific Reports · 14
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A density functional theory study on supercapacitor electrode applicability of ZnO/TiC heterostructure along with its vacancies, covacancies, codoped, alloys and coalloys
2023 · Fatemeh Shirvani, Mohammad Reza Jafari, et al. · The European Physical Journal Plus · 12
Studying supercapacitance and thermoelectric performance of semiconductor BaTiO 3 along with its halfmetal alloy of BaTiFO 2 : A DFT+U investigation
2024 · Fatemeh Shirvani, Mohammad Reza Jafari, et al. · Journal of Physics and Chemistry of Solids · 10
The thermoelectric properties of novel two-dimensional semiconductor ZrNBr alloyed with Fluorine: A DFT+U survey
2023 · Fatemeh Shirvani, Zahra Razavifar · Journal of Physics and Chemistry of Solids · 10
Electrical and optical properties of PbSe/PbTe heterostructures containing vacancies, doping, and alloys using first-principle calculations
2023 · Fatemeh Shirvani, Aliasghar Shokri · The European Physical Journal Plus · 10
Electronic, elastic and thermodynamic properties of TixZr1−xN compounds determined via first-principles calculations
2021 · Fatemeh Shirvani, Aliasghar Shokri, et al. · Physica B Condensed Matter · 10
Exploring superconductivity, supercapacitance and thermoelectric properties of NbCr 2 and its alloys with Li and Mg: A first-principles Investigation
2024 · Fatemeh Shirvani, Mohammad Reza Jafari, et al. · Journal of Energy Storage · 9
Exploration of structural, electrical, and thermoelectric properties of two-dimensional WTe2 in three phases through ab initio investigations
2024 · Fatemeh Shirvani, Zahra Razavifar · Physica B Condensed Matter · 7
The role of alloying carbon on thermodynamic properties of ZrN: A first principle study
2023 · Fatemeh Shirvani, Aliasghar Shokri, et al. · Solid State Communications · 7
First-principle study on the structural, phonon, thermodynamic, and electronic properties of the semimetal mono-layer AsP 3
2023 · Maryam Masoudi, Tahereh Shirnezhad, et al. · Chinese Journal of Physics · 6
Superconductivity and thermodynamic properties of MPb7 (M=Al, Mg) compounds: A first principles study
2023 · Fatemeh Shirvani, Aliasghar Shokri · Solid State Communications · 6
Effect of vacancy, doping and alloying on supercapacitance properties of monolayer CrN/CuN heterostructure as an electrode material: A first principle study
2024 · Fatemeh Shirvani, Mohammad Reza Jafari, et al. · Physica B Condensed Matter · 3
A thermodynamic study on catalytic decomposition of hydrazine in a space thruster
2019 · Shahram Pakdehi, Fatemeh Shirvani, et al. · Archives of Thermodynamics · 3
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Investigation of Na-ion battery applicability and supercapacitance properties of ZrCr2 alloyed with Na: a first-principles study
2025 · Fatemeh Shirvani, Mohammad Reza Jafari, et al. · Scientific Reports · 2
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Studying supercapacitance properties of Mg 3 Si and Ti 3 Si as novel electrode materials: A first-principles study
2025 · Fatemeh Shirvani, Aliasghar Shokri · Chemical Physics · 2
Temperature and C-Rate dependence of $$\hbox {Li}_y$$ $$\hbox {Mn}_2$$ $$\hbox {O}_4$$ and $$\hbox {Li}_x$$ $$\hbox {C}_6$$MCMB Lithium-ion battery performance with $$\hbox {LiPF}_6$$ electrolyte
2025 · Hanieh Zerafati Vahid, Aliasghar Shokri, et al. · Journal of Computational Electronics · 1
Ab initio investigation of Li and Na alloying effects on the supercapacitive and hybrid energy storage capabilities of 2D MoTe 2 electrodes
2025 · Fatemeh Shirvani, Mohammad Reza Jafari, et al. · Physica B Condensed Matter · 1
Investigating the layered structure of HfNBr and HfNCl0.5Br0.5: A DFT+U approach to optoelectronic and thermoelectric application
2025 · Fatemeh Shirvani, Mohammad Reza Jafari, et al. · Physica Scripta · 1
Mg alloyed InP and InN as candidate materials for UV photodetectors with possible solar cell and photocatalysis applications
2026 · Boshra Kiani Sadr, Aliasghar Shokri, et al. · Scientific Reports
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A Comprehensive Review of Photochemical Degradation: An Advanced Oxidation Process for the Decomposition and Mineralization of BTEX Compounds in Gas Phase
2026 · Hasti Daraei, Fatemeh Shirvani, et al. · Environmental Health Engineering and Management
Works count: 30
Citation count: 206
H-index: 10
I10-index: 11
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