Amirkabir University of Technology

Shirzad Jouybar, Laila Naji, Seyed Ahmad Mozafari, Saeedeh Sarabadani Tafreshi, Nora H. De Leeuw, "Electrochemically Engineered Lanthanum Nickelate as a Promising Transparent Hole-Transport Layer for Bulk Heterojunction Polymer Solar Cells: An Experimental and DFT Study", ACS Applied Energy Materials, February 2024 Vol. 7, Num. 4, Page 1647-1665, February 2024,

Shiva Orangi, Elahe Kowsarie, Mohammad Mohammadizadeh Boghrabad, Saeedeh Sarabadani Tafreshi, Seeram Ramakrishna, Mahboobeh Rafieepoor Chirani, Amutha Chinnappan, Nora H De Leeuw, "Investigating the efficacy of functionalized graphene oxide with polyhedral oligomeric silsesquioxane as an effective additive in sustainable ionic liquid-based electrolytes for dye-sensitized solar cells through experimental and DFT studies", JOURNAL OF MOLECULAR LIQUIDS, January 2024 Vol. 397, Num. 1, Page 124057-124069, January 2024,

Hosein Askary, Zahra Shariatinia, Saeedeh Sarabadani Tafreshi, Nora H. De Leeuw, "Remarkable hole transport properties of Spiro[fluorene-9,9?-xanthene] derivatives containing natural amino acid substituents for", SOLAR ENERGY, January 2024 Vol. 269, Num. 112308, Page 1-20, January 2024,

Susan Hamidi, Mehran Javanbakht, Mohammad Hassan Mousazadeh, Saeedeh Sarabadani Tafreshi, "Forming a stable SEI layer by the synergy effect of methyl p-toluenesulfonate electrolyte additive in Li-ion batteries", IONICS, November 2023 Vol. 30, Num. 14, Page 1-15, November 2023,

Samet Dimir, Mostafa Torkashvand, Shirzad Jouybar, Zahra Nikfarjam, Farshid Zargari, Saeedeh Sarabadani Tafreshi, Adem Tekin, "Hydrogen Storage in Trimetallic Borohydrides: a Crystal Structure Prediction and Ab Initio Molecular Dynamics Simulations Study", JOURNAL OF PHYSICAL CHEMISTRY C, September 2023 Vol. 127, Num. 39, Page 19344-19355, September 2023,

Maryam Jamaati, Mostafa Torkashvand, Saeedeh Sarabadani Tafreshi, Nora H De Leeuw, "A Review of Theoretical Studies on Carbon Monoxide Hydrogenation via Fischer–Tropsch Synthesis over Transition Metals", MOLECULES, September 2023 Vol. 28, Num. 18, Page 6525-6586, September 2023,

Sina Hejazi, Hamid Mehdi-Pour, Charles Ogolla Otieno, Julian Müller, Sadegh Pour-Ali, Majid Shahsanaei, Saeedeh Sarabadani Tafreshi, Benjamin Butz, Manuela S. Killian, Shiva Mohajernia, "Room-temperature defect-engineered titania: An efficient platform for Pt single atom decoration for photocatalytic H2 evolution", INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, August 2023 Vol. 0, Num. 0, Page 1-12, August 2023,

Saeedeh Sarabadani Tafreshi, Narges Taghizade, Mahmoodreza Sharifian, S. F. K. S. Panahi, Mostafa Torkashvand, Nora H De Leeuw, "A density functional theory study of CO2 hydrogenation on carbon-terminated TaC (111) surface", Reaction Kinetics,Mechanisms and Catalysis, July 2023 Vol. 136, Num. 4, Page 1-19, July 2023,

Mostafa Torkashvand, Saeedeh Sarabadani Tafreshi, Nora H De Leeuw, "Density Functional Theory Study of the Hydrogenation of Carbon Monoxide over the Co (001) Surface: Implications for the Fischer–Tropsch Process", Catalysts, May 2023 Vol. 13, Num. 5, Page 837-857, May 2023,

Mohammad Mohammadizadeh Boghrabad, Elahe Kowsarie, Seeram Ramakrishna, Saeedeh Sarabadani Tafreshi, Mahsa Gholambargani, Mahboobeh Rafieepoor Chirani, Shiva Orangi, Mohammad Gheibi, Majid Abdouss, Amutha Chinnappan, Nora H. De Leeuw, "A novel smart framework for sustainable nanocomposite electrolytes based on ionic liquids of dye-sensitized solar cells by a covalently multifunctional graphene oxide-vinyl imidazole/4-tert-butylpyridine cobalt complex", JOURNAL OF ALLOYS AND COMPOUNDS, February 2023 Vol. 945, Num. 1, Page 169241-169256, February 2023,

Maryam Raeisian Asl, Saeedeh Sarabadani Tafreshi, Nora H De Leeuw, "A DFT Study of Alkaline Earth Metal-Doped FAPbI3 (111) and (100) Surfaces", MOLECULES, January 2023 Vol. 28, Num. 1, Page 372-396, January 2023,

Saeedeh Sarabadani Tafreshi, Mahkame Ranjbar, Maryam Jamaati, S. F. K. S. Panahi, Narges Taghizade, Mostafa Torkashvand, Nora H De Leeuw, "Carbon dioxide hydrogenation over the carbon-terminated niobium carbide (111) surface: A Density Functional Theory study", PHYSICAL CHEMISTRY CHEMICAL PHYSICS, December 2022 Vol. 25, Num. 3, Page 2498-2509, December 2022,

Solmaz Valizadeh, Laila Naji, Mohammad Karimi, Saeedeh Sarabadani Tafreshi, Bas Heijman, Nora H.De Leeuw, "Experimental and Density Functional Theory Studies of Laminar Double-Oxidized Graphene Oxide Nanofiltration Membranes", CHEMICAL ENGINEERING RESEARCH & DESIGN, October 2022 Vol. 188, Num. 188, Page 590-606, October 2022,

Saeedeh Sarabadani Tafreshi, S. F. K. S. Panahi, Narges Taghizade, Maryam Jamaati, Mahkame Ranjbar, Nora H De Leeuw, "Thermodynamic and Kinetic Study of Carbon Dioxide Hydrogenation on the Metal-Terminated Tantalum-Carbide (111) Surface: A DFT Calculation", Catalysts, October 2022 Vol. 12, Num. 10, Page 1275-1290, October 2022,

Mohammad Dashti Najafi, Elahe Kowsarie, Nariman Neekzad, Seeram Ramakrishna, Saeedeh Sarabadani Tafreshi, Amutha Chinnappan, Hamid Reza Naderi, Nora H. De Leeuw, "TMP/Pd complex immobilized on graphene oxide for efficient pseudocapacitive energy storage with combined experimental and DFT study", JOURNAL OF MOLECULAR LIQUIDS, August 2022 Vol. 364, Num. 1, Page 120008-120023, August 2022,

Maryam Raeisian Asl, S. F. K. S. Panahi, Maryam Jamaati, Saeedeh Sarabadani Tafreshi, "A review on theoretical studies of structural and optoelectronic properties of FA-based perovskite materials with a focus on FAPbI3", INTERNATIONAL JOURNAL OF ENERGY RESEARCH, May 2022 Vol. n/a, Num. 0, Page 1-35, May 2022,

Raouf Aliakbari, Elahe Kowsarie, Hamid Reza Naderi, Saeedeh Sarabadani Tafreshi, Seeram Ramakrishna, Amutha Chinnappan, Nora H. De Leeuw, "Si-containing 3D cage-functionalized graphene oxide grafted with Ferrocene for high-performance supercapacitor application: An experimental and theoretical study", Journal of Energy Storage, April 2022 Vol. 50, Num. 1, Page 104635-104652, April 2022,

Hamed Esmaili, Elahe Kowsarie, Saeedeh Sarabadani Tafreshi, Seeram Ramakrishna, Nora H. De Leeuw, Majid Abdouss, "TiO2 nanoarrays modification by a novel Cobalt-heteroatom doped graphene complex for photoelectrochemical water splitting: An experimental and theoretical study", JOURNAL OF MOLECULAR LIQUIDS, March 2022 Vol. 356, Num. 118960, Page 0-0, March 2022,

Saeedeh Sarabadani Tafreshi, Mahkame Ranjbar, Narges Taghizade, S. F. K. S. Panahi, Maryam Jamaati, Nora H. De Leeuw, "A First-Principles Study of CO2 Hydrogenation on a Niobium-Terminated NbC (111) Surface", CHEMPHYSCHEM, January 2022 Vol. 23, Num. 6, Page 781-790, January 2022,

Mohammad Dashti Najafi, Elahe Kowsarie, Hamid Reza Naderi, Saeedeh Sarabadani Tafreshi, Amutha Chinnappan, Seeram Ramakrishna, Nora H. De Leeuw, Ali Ehsani, "High-performance symmetric supercapacitor based on new functionalized graphene oxide composites with pyrimidine nucleotide and nucleoside", JOURNAL OF MOLECULAR LIQUIDS, December 2021 Vol. 348, Num. 1, Page 118381-118394, December 2021,

Soheil Abdpour, Elahe Kowsarie, Behrouz Bazri, Mohammad Reza Alavi Moghaddam, Saeedeh Sarabadani Tafreshi, Nora H. De Leeuw, Ilka Simon, Laura Schmolke, Dennis Dietrich, Seeram Ramakrishna, Christoph Janiak, "Amino-functionalized MIL-101(Cr) photodegradation enhancement by Sulfur-enriched copper sulfide nanoparticles: An experimental and DFT study", JOURNAL OF MOLECULAR LIQUIDS, September 2020 Vol. 319, Num. 0, Page 114341-114355, September 2020,

Hamid Mehdipoor, Brendan A. Smith, Ali T. Rezakhani, Saeedeh Sarabadani Tafreshi, Nora H. De Leeuw, Oleg V. Prezhdo, Alireza Z. Moshfegh, Alexey V. Akimov, "Dependence of electron transfer dynamics on the number of graphene layers in ?-stacked 2D materials: insights from ab initio nonadiabatic molecular dynamics", PHYSICAL CHEMISTRY CHEMICAL PHYSICS, October 2019 Vol. 41, Num. 21, Page 23198-23208, October 2019,

Saeedeh Sarabadani Tafreshi, Alireza Z. Moshfegh, Nora H. De Leeuw, "Mechanism of Photocatalytic Reduction of CO2 by Ag3PO4(111)/g-C3N4 Nanocomposite: A First-Principles Study", JOURNAL OF PHYSICAL CHEMISTRY C, August 2019 Vol. 123, Num. 36, Page 22191-22201, August 2019,

Saeedeh Sarabadani Tafreshi, Alberto Roldan, Nora H. De Leeuw, "Micro-kinetic simulations of the catalytic decomposition of hydrazine on the Cu(111) surface", FARADAY DISCUSSIONS, October 2016 Vol. 197, Num. 1, Page 41-57, October 2016,

Saeedeh Sarabadani Tafreshi, Alberto Roldan, Nora H. De Leeuw, "Density functional theory calculations of the hydrazine decomposition mechanism on the planar and stepped Cu (111) surface", PHYSICAL CHEMISTRY CHEMICAL PHYSICS, July 2015 Vol. 17, Num. 1, Page 21533-21546, July 2015,

Saeedeh Sarabadani Tafreshi, Alberto Roldan, Nora H. De Leeuw, "Hydrazine network on Cu(111) surface: A Density Functional Theory approach", SURFACE SCIENCE, April 2015 Vol. 637, Num. 1, Page 140-148, April 2015,

Saeedeh Sarabadani Tafreshi, Alberto Roldan, Nora H. De Leeuw, "Density functional theory study of the adsorption of hydrazine on the perfect and defective (100), (110) and (111) surfaces", JOURNAL OF PHYSICAL CHEMISTRY C, October 2014 Vol. 118, Num. 45, Page 26103-26114, October 2014,

Saeedeh Sarabadani Tafreshi, Alberto Roldan, Nelson Y. Dzade, Nora H. De Leeuw, "Adsorption of hydrazine on the perfect and defective copper (111) surface: A dispersion-corrected DFT study", SURFACE SCIENCE, December 2013 Vol. 622, Num. 1, Page 1-8, December 2013,

Raeisianasl Maryam, Saeedeh Sarabadani Tafreshi, Nora H De Leeuw, "Less-lead FAPbI3 (100) surfaces, a theoretical study ", 22nd, August 2023

Mostafa Torkashvand, Saeedeh Sarabadani Tafreshi, Nora H De Leeuw, "A first-principle study of carbon monoxide hydrogenation on cobalt (001) surface ", 22nd Iranian Inorganic Chemistry Conference, August 2023

Shirzad Jouybar, Laila Naji, Saeedeh Sarabadani Tafreshi, "A comparative study of experimental (optical and electrochemical) and computational band gap for LaNiO3 perovskite oxide ", Fifth International Conference on Technology Development in Chemical Engineering, March 2022

Saeedeh Sarabadani Tafreshi, Alireza Z. Moshfegh, Nora H De Leeuw, "Density Functional Theory Calculations of CO2 Reduction Mechanism on Hybrid Photocatalyst Under Visible Light ", 22nd Iranian Physical Chemistry Conference, August 2019