Mahdi Pourfath

1. Consensus virtual screening to propose antivirals from Myrtus communis L. against human papillomavirus: Machine learning and docking

Maddah Mina, Pourfath Mahdi, Ataei-Pirkooh Angila, Rahimi Roja, Hosseini Yekta Nafiseh, Bahramsoltani Roodabeh (2025)., JOURNAL OF MOLECULAR LIQUIDS, 432(-), 127734.

2. Investigating the Adsorption Mechanism of Paracetamol as a Corrosion Inhibitor on the Iron (110) Plane Using First-Principles Calculations

Hamidi Hoda, Shojaei Fazel, Pourfath Mahdi, اسماعیل زاده مجتبی, Vaez-Zadeh Mehdi (2025)., Journal of Advanced Materials in Engineering (Esteghlal), 44(2), 93-103.

3. Computational Screening of 2D Heterostructures for Efficient Photocatalytic Water Splitting

Shobeyrian Forough, Soleimani Maryam, Shojaei Fazel, Lashani Zand Ali, Pourfath Mahdi (2025)., ACS APPLIED ENERGY MATERIALS, 8(13), 9748-9759.

4. Sensitive terahertz plasmonic metasurface biosensor integrated with microfluidics

MoradiFotouhi Amir, Pourfath Mahdi (2025)., Nanoscale Advances, 7(15), 4600-4609.

5. Tunable N2 Fixation Enabled by Ferroelectric Switching in Doped Graphene/In2Se3 Dual-Atom Catalysts

Akhound Mohammad Amin, Soleimani Maryam, Pourfath Mahdi (2025)., ACS Applied Materials & Interfaces, 17(10), 15385-15397.

6. Computational Analyses of Peganum harmala Alkaloids as Green Corrosion Inhibitors on Fe(110)

Hamidi Hoda, Shojaei Fazel, Eslami Hossein, Aliabadi Rasol, Pourfath Mahdi, Vaez-Zadeh Mehdi (2025)., LANGMUIR, 41(5), 3249-3258.

7. First-Principles Calculation of Lithium and Sodium Ion Diffusion in Crystalline Silicon Suboxide for Next-Generation Battery Anodes

Lashani Zand Ali, Kookhaee Maryam, Soleimani Maryam, Shobeyrian Forough, Niksirat Amin, Sanaee Zeinab, Pourfath Mahdi (2025)., Journal of Physical Chemistry C, 129(5), 2341-2353.

1. Solar-driven water splitting: Theoretical insights into M2Te5 (M=Al, In) monolayer photocatalysts

Soleimani Maryam, Shojaei Fazel, Pourfath Mahdi (2024)., INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 79(-), 666-675.

2. A comprehensive investigation of Ag7P3X11 (X = {O, S, and Se}) solid-state silver superionic conductors†

Niksirat Amin, Soleimani Maryam, Lashani Zand Ali, Pourfath Mahdi (2024)., Journal of Materials Chemistry A, 12(22), 13391-13399.

3. Adsorption behavior of some green corrosion inhibitors on Fe (110) surface: The critical role of d-π interactions in binding strength

Hamidi Hoda, Shojaei Fazel, Pourfath Mahdi, Vaez-Zadeh Mehdi (2024)., APPLIED SURFACE SCIENCE, 655(159425), 159425.

4. Graphsene as a novel porous two-dimensional carbon material for enhanced oxygen reduction electrocatalysis

Hosseini Mohammadreza, Soleimani Maryam, Shojaei Fazel, Pourfath Mahdi (2024)., Scientific Reports, 14(-), 9129.

1. Comprehensive Study of Lithium Diffusion in Si/C-Layer and Si/C3N4 Composites in a Faceted Crystalline Silicon Anode for Fast-Charging Lithium-Ion Batteries

Lashani Zand Ali, Niksirat Amin, Sanaee Zeinab, Pourfath Mahdi (2023)., ACS Omega, 8(47), 44698-44707.

2. Energy-efficient storage of methane and carbon dioxide capture in the form of clathrate hydrates using a novel non-foaming surfactant: An experimental and computational investigation

Sadeh Elaheh, Farhadian Abdolreza, Mohammadi Abolfazl, Maddah Mina, Pourfath Mahdi, Yang Mingjun (2023)., ENERGY CONVERSION AND MANAGEMENT, 293(-), 117475.

3. Two-dimensional Cr2X2Y6 (X = Si, Ge; Y = S, Se, Te) family with potential application in photocatalysis

Shobeyrian Forough, Shojaei Fazel, Soleimani Maryam, Pourfath Mahdi (2023)., APPLIED SURFACE SCIENCE, 630(630), 157319.

4. New insights on the effects of surface facets and calcination temperature on electrochemical properties of MnCo2O4 as bifunctional oxygen electrocatalyst in Zinc-air batteries

Karimpour Mohsen, Dorri Mehrdad, Babaei Alireza, Zamani Cyrus, Soleimani Maryam, Pourfath Mahdi (2023)., ELECTROCHIMICA ACTA, 467(-), 143022.

5. Controllable gas adsorption via inter-coupled ferroelectricity in In2Se3 monolayer

Akhound Mohammad Amin, Soleymani Maryam, Pourfath Mahdi (2023)., Materials Today Chemistry, 31(-), 101626.

6. Carbon monoxide reduction to hydrocarbons using a plasmonic Au nanoparticle photocatalyst

Soleimani Maryam, Dargahi Maryam, Pourfath Mahdi (2023)., Journal applied Researches in chemistry, 17(1), 96-109.

7. Indirect interactions between the ionic liquid and Cu surface in 0.5 M HCl: a novel mechanism explaining cathodic corrosion inhibition

HosseinpourRokni Mohsen, Naderi Mahmoodi Reza, Soleimani Maryam, Kowsari Elahe, Pourfath Mahdi (2023)., CORROSION SCIENCE, 216(1), 111100.

8. Negative Poisson's ratio and thickness-dependent optoelectronic response in two-dimensional thermoelectric TlCuSe

Shojaei Fazel, Mortazavi Bohayra, Zhuang Xiaoying, Pourfath Mahdi (2023)., MATERIALS CHEMISTRY AND PHYSICS, 295(12), 127155.

9. Strain engineering of hyperbolic plasmons in monolayer carbon phosphide: a first-principles study

Dehdast Kiaroudi Mahyar, Neek-Amal Mehdi, Stampfl Catherine, Pourfath Mahdi (2023)., Nanoscale, 15(5), 2234-2247.

10. A comprehensive investigation of the plasmonic-photocatalytic properties of gold nanoparticles for CO₂ conversion to chemicals

Soleimani Maryam, Pourfath Mahdi (2023)., Nanoscale, 15(15), 7051-7061.

11. An ensemble docking-based virtual screening according to different TRPV1 pore states toward identifying phytochemical activators

Maddah Mina, Hoseinian Nadia, Pourfath Mahdi (2023)., NEW JOURNAL OF CHEMISTRY, 47(4), 2003-2015.

1. Green corrosion inhibition for carbon steel reinforcement in chloride-polluted simulated concrete pore solution using Urtica Dioica extract

Naderi Mahmoodi Reza, Bautista Asuncion, Velasco Francisco, Soleimani Maryam, Pourfath Mahdi (2022)., JOURNAL OF BUILDING ENGINEERING, 58(1), 105055.

2. First principles study on structural, electronic and optical properties of HfS2(1-x) Se2x and ZrS2(1-x)Se2x ternary alloys

Razeghizadeh Mohammadreza, Pourfath Mahdi (2022)., RSC Advances, 12(22), 14061-14068.

1. Negative -Capacitanc Field Effect Nano Transistor Based on a Two-Dimensional Ferroelectric In2Se3

Soleimani Maryam, Pourfath Mahdi (2021)., nanomeghyas, 8(4), 4.