| Adsorption of hydrazine on the perfect and defective copper (111) surface: a dispersion-corrected DFT study SS Tafreshi, A Roldan, NY Dzade, NH De Leeuw Surface science 622, 1-8, 2014 | 82 | 2014 |
| Density functional theory study of the adsorption of hydrazine on the perfect and defective copper (100),(110), and (111) surfaces SS Tafreshi, A Roldan, NH de Leeuw The Journal of Physical Chemistry C 118 (45), 26103-26114, 2014 | 68 | 2014 |
| Density functional theory calculations of the hydrazine decomposition mechanism on the planar and stepped Cu (111) surfaces SS Tafreshi, A Roldan, NH de Leeuw Physical Chemistry Chemical Physics 17 (33), 21533-21546, 2015 | 41 | 2015 |
| Mechanism of Photocatalytic Reduction of CO2 by Ag3PO4(111)/g-C3N4 Nanocomposite: A First-Principles Study SS Tafreshi, AZ Moshfegh, NH de Leeuw The Journal of Physical Chemistry C 123 (36), 22191-22201, 2019 | 40 | 2019 |
| Amino-functionalized MIL-101 (Cr) photodegradation enhancement by sulfur-enriched copper sulfide nanoparticles: An experimental and DFT study S Abdpour, E Kowsari, B Bazri, MRA Moghaddam, SS Tafreshi, ... Journal of Molecular Liquids 319, 114341, 2020 | 23 | 2020 |
| Hydrazine network on Cu (111) surface: a density functional theory approach SS Tafreshi, A Roldan, NH de Leeuw Surface Science 637, 140-148, 2015 | 23 | 2015 |
| Micro-kinetic simulations of the catalytic decomposition of hydrazine on the Cu (111) surface SS Tafreshi, A Roldan, NH De Leeuw Faraday Discussions 197, 41-57, 2017 | 18 | 2017 |
| A review on theoretical studies of structural and optoelectronic properties of FA‐based perovskite materials with a focus on FAPbI3 M RaeisianAsl, SFKS Panahi, M Jamaati, SS Tafreshi International Journal of Energy Research 46 (10), 13117-13151, 2022 | 17 | 2022 |
| Persistent Quantum Coherence and Strong Coupling Enable Fast Electron Transfer across the CdS/TiO2 Interface: A Time-Domain ab Initio Simulation H Mehdipour, AV Akimov, J Jankowska, AT Rezakhanai, SS Tafreshi, ... The Journal of Physical Chemistry C 122 (44), 25606-25616, 2018 | 16 | 2018 |
| High-performance symmetric supercapacitor based on new functionalized graphene oxide composites with pyrimidine nucleotide and nucleoside MD Najafi, E Kowsari, HR Naderi, SS Tafreshi, A Chinnappan, ... Journal of Molecular Liquids 348, 118381, 2022 | 11 | 2022 |
| Dependence of electron transfer dynamics on the number of graphene layers in π-stacked 2D materials: insights from ab initio nonadiabatic molecular dynamics H Mehdipour, BA Smith, AT Rezakhani, SS Tafreshi, NH de Leeuw, ... Physical Chemistry Chemical Physics 21 (41), 23198-23208, 2019 | 10 | 2019 |
| TiO2 nanoarrays modification by a novel Cobalt-heteroatom doped graphene complex for photoelectrochemical water splitting: An experimental and theoretical study H Esmaili, E Kowsari, SS Tafreshi, S Ramakrishna, NH de Leeuw, ... Journal of Molecular Liquids 356, 118960, 2022 | 9 | 2022 |
| Si-containing 3D cage-functionalized graphene oxide grafted with Ferrocene for high-performance supercapacitor application: An experimental and theoretical study R Aliakbari, E Kowsari, HR Naderi, SS Tafreshi, S Ramakrishna, ... Journal of Energy Storage 50, 104635, 2022 | 9 | 2022 |
| A First‐Principles Study of CO2 Hydrogenation on a Niobium‐Terminated NbC (111) Surface S Sarabadani Tafreshi, M Ranjbar, N Taghizade, S Panahi, M Jamaati, ... ChemPhysChem 23 (6), e202100781, 2022 | 7 | 2022 |
| Experimental and density functional theory studies of laminar double-oxidized graphene oxide nanofiltration membranes S Valizadeh, L Naji, M Karimi, SS Tafreshi, B Heijman, NH de Leeuw Chemical Engineering Research and Design 188, 590-606, 2022 | 6 | 2022 |
| Thermodynamic and kinetic study of carbon dioxide hydrogenation on the metal-terminated tantalum-carbide (111) surface: a DFT calculation S Sarabadani Tafreshi, SFKS Panahi, N Taghizade, M Jamaati, ... Catalysts 12 (10), 1275, 2022 | 3 | 2022 |
| TMP/Pd complex immobilized on graphene oxide for efficient pseudocapacitive energy storage with combined experimental and DFT study MD Najafi, E Kowsari, N Neekzad, S Ramakrishna, SS Tafreshi, ... Journal of Molecular Liquids 364, 120008, 2022 | 3 | 2022 |
| Room-temperature defect-engineered titania: An efficient platform for Pt single atom decoration for photocatalytic H2 evolution S Hejazi, H Mehdi-pour, CO Otieno, J Müller, S Pour-Ali, M Shahsanaei, ... International Journal of Hydrogen Energy 51, 222-233, 2024 | 2 | 2024 |
| A novel smart framework for sustainable nanocomposite electrolytes based on ionic liquids of dye-sensitized solar cells by a covalently multifunctional graphene oxide-vinyl … MM Boghrabad, E Kowsari, S Ramakrishna, SS Tafreshi, ... Journal of Alloys and Compounds 945, 169241, 2023 | 2 | 2023 |
| Calculation of the Viscosity of Simple Fluids Based on the Rainwater‐Friend Theory FS Hashemi, SS Tafreshi Journal of the Chinese Chemical Society 54 (1), 9-14, 2007 | 2 | 2007 |
NH de LeeuwProfessor of Computational Chemistry, University of Leeds, UK; Utrecht University, The NetherlandsVerified email at leeds.ac.uk
