سعیده سرآبادانی تفرشی - دانشگاه صنعتی امیرکبیر

بررسی محاسباتی ویژگیهای ساختاری، الکترونی و نوری ترکیبات پروسکایت اکسیدی بر پایه منگنز ( عناصر قلیایی و قلیایی خاکی:A) Amno3، با استفاده از نظریه تابعی چگالی

سیدمحمدرضا نجیبی و سعیده سرآبادانی تفرشی

دی 1402

بررسی ویژگیهای ساختاری ’ الکترونی و نوری ترکیبات پروسکایت اکسیدی بر پایه ی قلع ASnO3 (A= عناصر قلیایی و قلیایی خاکی ) با استفاده از نظریه تابعی چگالی

مهدی احسانی نسب و سعیده سرآبادانی تفرشی

مهر 1402

بررسی محاسباتی هیدروژناسیون کربن مونوکسید رویسطح کاتالیست آلفا - کوارتز بااستفاده از نظریه تابع چگالی

منیره سادات کاکاوند و سعیده سرآبادانی تفرشی

اسفند 1401

بررسی محاسباتی هیدروژناسیون دی اکسید کربن برروی سطوح دوبعدی نیترید اسکاندیم با استفاده از نظریه ی تابعی چگالی

معصومه پرتو و سعیده سرآبادانی تفرشی

اسفند 1401

بررسی محاسباتی هیدروژناسیون مونوکسید کربن توسط مکانیزم فیشر تروپس در حضور کاتالیستهایی با پایه ی گرافن اکساید با استفاده از نطریه تابعی چگالی

حانیه بختیاری و سعیده سرآبادانی تفرشی

مهر 1401

محاسبات نظریه تابعی چگالی بر روی هیدروژناسیون کربن مونوکسید از طریق سنتز فیشر-تروپش در حضور کاتالیست کبالت

مصطفی ترکاشوند و سعیده سرآبادانی تفرشی

شهریور 1401

بررسی محاسباتی کاربرد فسفرین به عنوان حامل دارویی برای انتقال داروهای شیمی درمانی با استفاده از نظریه تابعیت چگالی

سمیرا خیری و سعیده سرآبادانی تفرشی

خرداد 1401

بررسی محاسباتی عوامل موثر در بهبود عملکرد سلول های خورشیدی پروسکایتی با استفاده از نظریه ی تابعی چگالی

مریم رئیسیان اصل و سعیده سرآبادانی تفرشی

مهر 1400

بررسی محاسباتی واکنش پذیری دی اکسید کربن برروی سطوح کربید عناصر واسطه با استفاده از نطریه ی تابعی چگالی

مهکامه رنجبرماجلانی و سعیده سرآبادانی تفرشی

اردیبهشت 1400

مقالات ژورنال

داده های ثبت شده در پورتال

Shirzad Jouybar, Laila Naji, Saeedeh Sarabadani Tafreshi, Nora H De Leeuw, "A Density Functional Theory Study of the Physico-Chemical Properties of Alkali Metal Titanate Perovskites for Solar Cell Applications", MOLECULES, Vol. 29, Num. 14, Page 3355-3380, July 2024,

Hamid Mehdipour, Peter Kratzer, Saeedeh Sarabadani Tafreshi, Oleg Prezhdo, "Accelerated Electron–Hole Separation at the Organic–Inorganic Anthracene/Janus MoSSe Interface", Journal of Physical Chemistry Letters, Vol. 15, Num. 31, Page 7878-7884, July 2024,

Shirzad Jouybar, Laila Naji, Sayed Ahmad Mozaffari, Saeedeh Sarabadani Tafreshi, "In Situ Electrochemical Cobalt Doping in Perovskite-Structured Lanthanum Nickelate Thin Film Toward Energy Conversion Enhancement of Polymer Solar Cells", ACS APPLIED MATERIALS & INTERFACES, Vol. 16, Num. 25, Page 32857-32873, June 2024,

Hanieh Bakhtiary, Saeedeh Sarabadani Tafreshi, Mostafa Torkashvand, Majid Abdouss, Nora H. De Leeuw, "A DFT Study of CO Hydrogenation on Graphene Oxide: Effects of Adding Mn on Fischer–Tropsch Synthesis", Catalysts, Vol. 14, Num. 294, Page 1-18, April 2024,

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, 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, 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, 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, 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, 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, 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, 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, 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, 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, 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, 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, Vol. 25, Num. 3, Page 2498-2509, December 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, Vol. 12, Num. 10, Page 1275-1290, October 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, Vol. 188, Num. 188, Page 590-606, 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, 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, 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, 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, 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, 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, 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, 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, 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, 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, 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, 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, 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, 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, Vol. 622, Num. 1, Page 1-8, December 2013,

مقالات کنفرانس

داده های ثبت شده در پورتال

Mahdi Ehsani Nasab, Saeedeh Sarabadani Tafreshi, "Density functional theory study of the structural, electronic and optical properties of the stannate perovskite oxides, ASnO3 (A = alkaline and alkaline earth elements) ", 22nd Iranian Chemistry Congress, May 2024

Hanieh Bakhtiary, Saeedeh Sarabadani Tafreshi, Majid Abdouss, "Investigating the Effect of Mn Addition on Fischer-Tropsch Synthesis during CO2 Hydrogenation on Graphene Oxide using DFT ", 22nd Iranian Chemistry Congress, May 2024

Monireh Kakavand, Saeedeh Sarabadani Tafreshi, Mostafa Torkashvand, Naser Mirzaei Darmarani, Majid Abdouss, "DFT study on the hydrogenation of carbon monoxide on a SiO2-based catalytic surface ", 22nd Iranian Inorganic Chemistry Conference, August 2023

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

دروس ارائه شده

عنوان درس

توصیف درس

سرفصل ها

دوره درسی

General Chemistry (I)

Basic familiarity with the concepts of chemistry

Fall 2024

General Chemistry (I)

Basic familiarity with the concepts of chemistry

Fall 2024

Quantum Mechanics

Basic familiarity with the concepts of quantum physics and its application in quantum chemistry

Fall 2024

General Chemistry (I)

Basic familiarity with the concepts of chemistry

Spring 2024

STARISTICAL THERMODYNAMIC

Familiarity with the principles and concepts of statistical mechanics,

Spring 2024

Computational Chemistry

Familiaritity with computational chemistry ((mathematical methods combined with fundamental laws of physics to study chemical processes)

Spring 2024

General Chemistry (I)

Basic familiarity with the concepts of chemistry

Fall 2023

General Chemistry (I)

Basic familiarity with the concepts of chemistry

Fall 2023

Quantum Mechanics

Basic familiarity with the concepts of quantum physics and its application in quantum chemistry

Fall 2023

Molecular Spectroscopy

Familiarity with the laws of molecular spectroscopy

Spring 2023

Computational Chemistry

Familiaritity with computational chemistry ((mathematical methods combined with fundamental laws of physics to study chemical processes)

Spring 2023

General Chem. Lab (I)

Familiaritity with fundamental chemical experiments

Spring 2023

General Chem. Lab (I)

Familiaritity with fundamental chemical experiments

Spring 2023

General Chemistry (I)

Basic familiarity with the concepts of chemistry

Spring 2023