فاضل شجاعی

تحصیلات

دکترای تخصصی شیمی-شیمی فیزیک ، دانشگاه ملی چانبوک ، کره جنوبی (1391 - 1395)
فوق لیسانس شیمی-شیمی فیزیک ، تحصیلات تکمیلی در علوم پایه زنجان ، ایران (1388 - 1391)

فعالیت‌های پژوهشی

مقالات در نشریات

1	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
2	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
3	هدا حمیدی، فاضل شجاعی، مهدی پورفتح، مجتبی اسماعیل زاده، مهدی واعظ زاده (1403) بررسی مکانیسم جذب پاراستامول بـه عنـوان عامل بازدارنـده خوردگی بر روی صفحه (110) فلز آهن با استفاده از محاسبات اصول اولیه مواد پیشرفته در مهندسی (استقلال): 44; 93-103
4	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
5	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
6	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
7	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
8	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
9	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
10	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
11	محسن محرابی، فاضل شجاعی (1402) تأثیر اسید شویی و تابش لیزر YAG: Nd در افزایش ظرفیت ذخیره سازی گاز هیدروژن در نانولوله های کربنی مواد پیشرفته در مهندسی: 42; 17-29
12	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
13	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-...
14	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
15	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-...
16	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
17	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
18	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
19	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
20	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
21	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
22	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
23	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
24	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
25	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
26	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
27	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
28	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
29	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-...
30	Bohayra Mortazavi, Fazel Shojaei, Masoud Shahrokhi, Maryam Azizi, Timon Rebczuk, Xiaoying Zhuang, Alexander V. Shapeev (2020) Nanoporous C3N4, C3N5 and C3N6 nanosheets; novel strong semiconductors with low thermal conductivities and appealing optical/electronic properties CARBON: 167; 40-50
31	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-...
32	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
33	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
34	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
35	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-...
36	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
37	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
38	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
39	Fazel Shojaei, Hong Seok Kang (2015) Stability and electronic structures of triazine-based carbon nitride nanotubes RSC Advances: 5; 10892-10898
40	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
41	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

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پایان‌نامه

1	زهرا راستی پور، محمد رضا محمدی زاده، فاضل شجاعی (1404) ارائه یک روش جدید، ساده و با راندمان بالا برای تهیه مشتقات پیرولوپیریمیدین و پیرولوآزوسین و مطالعه نظری جامع ویژگی های فیزیکی و الکترونیکی مواد دوبعدی مبتنی بر هترو[ 8]سیرکولن
2	هدا حمیدی، مهدی پورفتح، مهدی واعظ زاده، فاضل شجاعی (1403) مطالعه و بررسی بازدارنده های خوردگی سبز برای محافظت ازخوردگی فلزات
3	مریم ستوده، افشان مهاجری، فاضل شجاعی، مجتبی علی پور (1403) بررسی نظری پاسخهای اپتیک غیرخطی کالسترهای تجمعی بور، طراحی محاسباتی ساختارهای ژانوسدو بعدیSnXY(X= P, As, Sb); Y= H, CH3 برای کاربردهای فوتوکاتالیستی و مطالعه پایداری ساختارهای دوبعدی BO دوپه شده با فلزات قلیایی و قلیایی خاکی
4	مریم راضی، فاضل شجاعی، لیلا مفتون آزاد (1402) کاربرد شبکه های آلی کووالانسی دو بعدی در باتری های یونی
5	فروغ شبیریان، فاضل شجاعی، سیدشمس الدین مهاجرزاده، مهدی پورفتح، مریم سلیمانی (1402) بررسی ساختارهای دوبعدی برای کاربردهای فوتوکاتالیستی جهت تولید سوخت سبز
6	عاطفه مهربان، فرخنده مظفری، فاضل شجاعی (1401) شبیه سازی دینامیک مولکولی مخلوط مایع یونی 1-اتیل-3-متیل ایمیدازولیوم متیل سولفات و آب
7	حاجب محبت ، علیرضا حسنی نژاد، محمد رضا محمدی زاده، فاضل شجاعی (1400) طراحی و بررسی شبکه های آلی کووالانسی دو بعدی بر پایه ی فنالنیل جهت کاربرد در نانوالکترونیک

کتاب

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ابداع

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جذب گرنت

1	فاضل شجاعی (1403) حمایت از فعالیت های آموزشی و پژوهشی استادیاران جوان (جایزه مرحوم کاظمی آشتیانی)

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