September 13, 2026
Persian Gulf University
فارسی

Fazel Shojaei

Academic Rank: Associate professor
Address: —
Degree: Ph.D in Chemistry
Phone: 077
Faculty: Faculty of Nano and Biotechnology
Home

Education

  • PhD. in Chemistry-Physical Chemistry , Chonbuk National University , Republic of Korea (South Korea) (2013 - 2017)
  • MSc. in Chemistry-Physical Chemistry , Institute for Advanced Studies in Basic Science (IASBS) , Islamic Republic of Iran (2009 - 2012)
More

Research activities

Journal articles
1
Bohayra Mortazavi, Masoud Shahrokhi, Fazel Shojaei, Xiaoying Zhuang (2026) First-Principles Insights into Recently Synthesized α′–B8H4 Hydrogenated Borophene: A Stable Semiconducting Monolayer for UV Photodetection and Optoelectronic Applications MATERIALS: 19; 907-...
2
zahra rastipour, Masoud Shahrokhi, Fazel Shojaei, Xiaoying Zhuang, Bohayra Mortazavi (2026) Hetero[8]circulene-Based 2D Materials: A DFT Study of Electronic, Mechanical, and Transport Properties ACS Applied Energy Materials: 9; 2089-2100
3
Tahereh Kheshti, Afshan Mohajeri, Fazel Shojaei, Hong Seok Kang (2025) Strain-Tuned Z-Scheme Heterostructures of GeH/GeCH 3 , GeH/InSe, and GeCH 3 /InSe for Efficient Photocatalysis Journal of Physical Chemistry C: 129; 21434-21447
4
Bohayra Mortazavi, Fazel Shojaei, Masoud Shahrokhi, Xiaoying Zhuang (2025) Machine learning-assisted first-principles study of structural, electronic, optical, thermal, and mechanical properties of novel s-triazine-based organic framework monolayers CARBON: 248; 121092-...
5
Forough Shobeyrian, Maryam Soleimani, Fazel Shojaei, Ali Lashani Zand, Mahdi Pourfath (2025) Computational Screening of 2D Heterostructures for Efficient Photocatalytic Water Splitting ACS Applied Energy Materials: 8; 9748–9759
6
Maryam Sotudeh, zahra rastipour, Fazel Shojaei, Afshan Mohajeri, Hong Seok Kang (2025) Transforming Boron Monoxide Monolayer with Light Metal Atoms: Stability and Electronic Properties ACS APPLIED ELECTRONIC MATERIALS: 7; 2696–2708
7
Hoda Hamidi، Fazel Shojaei، Mahdi Pourfath، Mojtaba Esmailzadeh، Mehdi Vaez-zadeh (1403) Investigating the Adsorption Mechanism of Paracetamol as a Corrosion Inhibitor on the Iron (110) Plane Using First-Principles Calculations مواد پیشرفته در مهندسی (استقلال): 44; 93-103
8
Hoda Hamidi, Fazel Shojaei, Hossein Eslami, Rasol Aliabadi, Mahdi Pourfath, Mehdi Vaez-zadeh (2025) Computational Analyses of Peganum harmala Alkaloids as Green Corrosion Inhibitors on Fe(110) LANGMUIR: 4; 3249–3258
9
Maryam Sotudeh, Afshan Mohajeri, Fazel Shojaei (2024) Janus SnXY monolayers (X= P, As, Sb; Ydouble bondH, CH3): A new class of two-dimensional photocatalysts for water splitting INTERNATIONAL JOURNAL OF HYDROGEN ENERGY: 79; 676-689
10
Maryam Soleimani, Fazel Shojaei, Mahdi Pourfath (2024) Solar-driven water splitting: Theoretical insights into M2Te5 (M=Al, In) monolayer photocatalysts INTERNATIONAL JOURNAL OF HYDROGEN ENERGY: 79; 666-675
11
Fazel Shojaei, Qinghua Zhang, Xiaoying Zhuang, Bohayra Mortazavi (2024) Remarkably high tensile strength and lattice thermal conductivity in wide band gap oxidized holey graphene C2O nanosheet. Nanoscale Research Letters: 19; 99
12
Hoda Hamidi, Fazel Shojaei, Mahdi Pourfath, Mehdi Vaez-zadeh (2024) Adsorption behavior of some green corrosion inhibitors on Fe (110) surface: The critical role of d-π interactions in binding strength APPLIED SURFACE SCIENCE: 655; 159425
13
Tahereh Kheshti, Fazel Shojaei, Afshan Mohajeri (2024) BODIPY-Based Macrostructures: A Design Strategy toward Enhancing the Efficiency of Dye-Sensitized Solar Cells JOURNAL OF PHYSICAL CHEMISTRY A: 128; 3751–3763
14
Mohammadreza Hosseini, Maryam Soleimani, Fazel Shojaei, Mahdi Pourfath (2024) Graphsene as a novel porous two-dimensional carbon material for enhanced oxygen reduction electrocatalysis Scientific Reports: 14; 9129
15
Bohayra Mortazavi, Fazel Shojaei, Fei Ding, Xiaoying Zhuang (2023) Anomalous tensile strength and thermal expansion, and low thermal conductivity in wide band gap boron monoxide monolayer FLATCHEM: 2; 100575
16
Forough Shobeyrian, Fazel Shojaei, Maryam Soleimani, Mahdi Pourfath (2023) Two-dimensional Cr 2 X 2 Y 6 (X = Si, Ge; Y = S, Se, Te) family with potential application in photocatalysis APPLIED SURFACE SCIENCE: 630; 157319-...
17
Suman Chowdhury, Fazel Shojaei, Bohayra Mortazavi (2023) Comment on “Two-dimensional penta-like PdPSe with a puckered pentagonal structure: a first-principles study” by A. Bafekry, M. M. Fadlallah, M. Faraji, A. Shafique, H. R. Jappor, I. Abdolhoseini Sarsari, Y. S. Ang and M. Ghergherehchii, Phys. Chem. Chem. Phys., 2022, 24, 9990 PHYSICAL CHEMISTRY CHEMICAL PHYSICS: 25; 8961
18
Fazel Shojaei, Bohayra Mortazavi, Xiaoying Zhuang, Mahdi Pourfath (2023) Negative Poisson's ratio and thickness-dependent optoelectronic response in two-dimensional thermoelectric TlCuSe MATERIALS CHEMISTRY AND PHYSICS: 295; 127155-...
19
Roghayeh Alizadeh, Reza Naderi, Mohsen Saremi, Hoda Hamidi, Fazel Shojaei (2022) Corrosion inhibition effect of sodium tri-polyphosphate on reinforcing steel in simulated concrete pore solution with different pHs CONSTRUCTION AND BUILDING MATERIALS: 363; 129819
20
Bohayra Mortazavi, Fazel Shojaei, Mehmet Yagmurcukardes, Alexander V. Shapeev, Xiaoying Zhuang (2022) Anisotropic and outstanding mechanical, thermal conduction, optical, and piezoelectric responses in a novel semiconducting BCN monolayer confirmed by first-principles and machine learning CARBON: 200; 500-509
21
Bohayra Mortazavi, Fazel Shojaei, Xiaoying Zhuang (2022) A novel two-dimensional C36 fullerene network; An isotropic, auxetic semiconductor with low thermal conductivity and remarkable stiffness Materials Today Nano: 1; 100280
22
Bohayra Mortazavi, Fazel Shojaei, Masoud Shahrokhi, Timon Rebczuk, Alexander V. Shapeev, Xiaoying Zhuang (2022) Electronic, Optical, Mechanical and Li-Ion Storage Properties of Novel Benzotrithiophene-Based Graphdiyne Monolayers Explored by First Principles and Machine Learning BATTERIES-BASEL: 8; 194
23
Fazel Shojaei, Bohayra Mortazavi, Masoud Shahrokhi (2022) Comment on “Ab-initio-driven prediction of puckered penta-like PdPSeX (X = O, S, Te) Janus monolayers: Study on the electronic, optical, mechanical and photocatalytic properties”. [Appl. Surf. Sci. 582 (2022) 152356] APPLIED SURFACE SCIENCE: 596; 153515
24
Bohayra Mortazavi, Fazel Shojaei, Mehmet Yagmurcukardes, Meysam Makaremi, Xiaoying Zhuang (2022) A Theoretical Investigation on the Physical Properties of Zirconium Trichalcogenides, ZrS3, ZrSe3 and ZrTe3 Monolayers Energies: 15; 5479
25
Masoud Shahrokhi, Bohayra Mortazavi, Fazel Shojaei (2022) Comment on ‘Biphenylene monolayer as a two-dimensional nonbenzenoid carbon allotrope: a first-principles study’ JOURNAL OF PHYSICS-CONDENSED MATTER: 34; 248001
26
Bohayra Mortazavi, Fazel Shojaei, Alexander V. Shapeev, Xiaoying Zhuang (2022) A combined first-principles and machine-learning investigation on the stability, electronic, optical, and mechanical properties of novel C6N7-based nanoporous carbon nitrides CARBON: 194; 230-239
27
Bohayra Mortazavi, Masoud Shahrokhi, Fazel Shojaei, Timon Rebczuk, Xiaoying Zhuang, Alexander V. Shapeev (2022) A first-principles and machine-learning investigation on the electronic, photocatalytic, mechanical and heat conduction properties of nanoporous C5N monolayers Nanoscale: 14; 4324
28
Bohayra Mortazavi, Fazel Shojaei, Brahmanandam Javvaji, Timon Rebczuk, Xiaoying Zhuang (2021) Outstandingly high thermal conductivity, elastic modulus, carrier mobility and piezoelectricity in two-dimensional semiconducting CrC2N4: a first-principles study Materials Today Energy: 22; 100839
29
Bohayra Mortazavi, Fazel Shojaei, Timon Rebczuk, Xiaoying Zhuang (2021) High tensile strength and thermal conductivity in BeO monolayer: A first-principles study FLATCHEM: 28; 100257
30
Bohayra Mortazavi, Fazel Shojaei, Xiaoying Zhuang (2021) Ultrahigh stiffness and anisotropic Dirac cones in BeN4 and MgN4 monolayers: a first-principles study Materials Today Nano: 15; 100125
31
Fazel Shojaei, Bohayra Mortazavi (2021) Ultrahigh carrier mobility, Dirac cone and high stretchability in pyrenyl and pyrazinoquinoxaline graphdiyne/graphyne nanosheets confirmed by first-principles APPLIED SURFACE SCIENCE: 557; 149699
32
Bohayra Mortazavi, Brahmanandam Javvaji, Fazel Shojaei, Timon Rebczuk, Alexander V. Shapeev, Xiaoying Zhuang (2021) Exceptional piezoelectricity, high thermal conductivity and stiffness and promising photocatalysis in two-dimensional MoSi2N4 family confirmed by first-principles Nano Energy: 82; 105716-...
33
Bohayra Mortazavi, Fazel Shojaei, Masoud Shahrokhi, Maryam Azizi, Timon Rebczuk, Alexander V. Shapeev, Xiaoying Zhuang (2020) Nanoporous C3N4, C3N5 and C3N6 nanosheets; novel strong semiconductors with low thermal conductivities and appealing optical/electronic properties CARBON: 167; 40-50
34
Bohayra Mortazavi, Fazel Shojaei, Brahmanandam Javvaji, Maryam Azizi, Haifei Zhan, Timon Rebczuk, Xiaoying Zhuang (2020) First-principles investigation of mechanical, electronic and optical properties of H-, F- and Cl-diamane APPLIED SURFACE SCIENCE: 528; 147035-...
35
Mostafa Raeisi, Bohayra Mortazavi, Evgeny V Podryabinkin, Fazel Shojaei, Xiaoying Zhuang, Alexander V. Shapeev (2020) High thermal conductivity in semiconducting Janus and non-Janus diamanes CARBON: 167; 51-61
36
Asadollah Bafekry, Fazel Shojaei, Mohammed M. Obeid, Mitra Ghergherehchi, Chuong V. Nguyen, Mohammad Oskouian (2020) پیشنویس مقاله چاپ شده ثبت شده در 1399/10/28 1:12:1 ق.ظ RSC Advances: 10; 31894-31900
37
Asadollah Bafekry, Fazel Shojaei, Doh M Hoat, Masoud Shahrokhi, Mitra Ghergherehchi, Chuong V. Nguyen (2020) The mechanical, electronic, optical and thermoelectric properties of two-dimensional honeycomb-like of XSb (X = Si, Ge, Sn) monolayers: a first-principles calculations RSC Advances: 10; 30398-30405
38
Fazel Shojaei, Bohayra Mortazavi, Xiaoying Zhuang, Maryam Azizi (2020) Silicon diphosphide (SiP2) and silicon diarsenide (SiAs2): Novel stable 2D semiconductors with high carrier mobilities, promising for water splitting photocatalysts Materials Today Energy: 16; 100377-...
39
Bohayra Mortazavi, Fazel Shojaei, Maryam Azizi, Timon Rebczuk, Xiaoying Zhuang (2020) As 2 S 3, As 2 Se 3 and As 2 Te 3 nanosheets: superstretchable semiconductors with anisotropic carrier mobilities and optical properties Journal of Materials Chemistry C: ; 2400،2410
40
Fazel Shojaei, Hong Seok Kang (2016) Electronic Structures and Li-Diffusion Properties of Group IV–V Layered Materials: Hexagonal Germanium Phosphide and Germanium Arsenide Journal of Physical Chemistry C: 120; 23842-23850
41
Fazel Shojaei, Hong Seok Kang (2015) Electronic Structure and Carrier Mobility of Two-Dimensional α Arsenic Phosphide Journal of Physical Chemistry C: 119; 20210-20216
42
Fazel Shojaei, Hong Seok Kang (2015) Stability and electronic structures of triazine-based carbon nitride nanotubes RSC Advances: 5; 10892-10898
43
Fazel Shojaei, Hong Seok Kang (2014) Continuous Tuning of Band Gap for π-Conjugated Ni Bis(dithiolene) Complex Bilayer Journal of Physical Chemistry C: 118; 25626-25632
44
Fazel Shojaei, Jae Ryang Hahn, Hong Seok Kang (2014) Mechanical and Electronic Properties of π-Conjugated Metal Bis(dithiolene) Complex Sheets CHEMISTRY OF MATERIALS: 26; 2967-2974
Conference articles
Research of this type not found!
Projects
Research of this type not found!
Theses
1
zahra rastipour, Mohammad Reza Mohammadizadeh, Fazel Shojaei (2025) "A novel, simple, and efficient method for the synthesis of pyrrolopyrimidine and pyrroloazocine derivatives, and comprehensive theoretical investigation of the physical and electronic properties of hetero[8]circulene-based two-dimensional materials
2
Hoda Hamidi, Mehdi Vaez-zadeh, Mahdi Pourfath, Fazel Shojaei (2025) Investigation of Green Inhibitors for Corrosion Protection of Metals
3
Maryam Sotudeh, Afshan Mohajeri, Mojtaba Alipour, Fazel Shojaei (2024) Theoretical Investigation of the Nonlinear Optical Responses of Boron Cluster Assemblies, Computational Design of Janus SnXY Monolayers (X= P, As, Sb; Y= H, CH3) for Photocatalytic Applications, and Investigation of the Stability of BO Two-Dimensional Structures Doped with Alkali and Alkaline Earth Metals
4
maryam razi, Fazel Shojaei, Leila Maftoon-Azad (2024) Two-Dimensional Covalent Organic Frameworks in Ion Batteries
5
Forough Shobeyrian, Seyyed Shamsuddin Mohajerzadeh, Fazel Shojaei, Mahdi Pourfath, Maryam Soleimani (2024) Investigation of 2D structures for photocatalytic applications for green fuel production
6
atefeh mehrban, Farkhondeh Mozaffari, Fazel Shojaei (2022) Molecular dynamics simulation of mixture of ionic liquid 1-ethyl- 3-methyl imidazolium methyl sulfate and water
7
, Alireza Hasaninejad, Mohammad Reza Mohammadizadeh, Fazel Shojaei (2021) Design and Investigation of Phenalenyl-Based Two Dimensional Covalent Organic Frameworks for Nanoelectronics application
Books
Research of this type not found!
Innovations
Research of this type not found!
Grant Attraction
Research of this type not found!

Courses

Persian Gulf University
Powered By Jiro