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	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
2	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
3	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
4	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
5	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
6	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
7	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
8	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
9	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-...
10	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-...
11	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
12	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
13	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
14	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
15	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
16	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
17	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
18	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
19	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
20	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
21	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
22	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-...
23	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
24	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-...
25	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
26	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
27	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
28	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-...
29	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
30	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
31	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
32	Fazel Shojaei, Hong Seok Kang (2015) Stability and electronic structures of triazine-based carbon nitride nanotubes RSC Advances: 5; 10892-10898
33	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
34	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	مریم راضی، فاضل شجاعی، لیلا مفتون آزاد (1402) کاربرد شبکه های آلی کووالانسی دو بعدی در باتری های یونی
2	فروغ شبیریان، سیدشمس الدین مهاجرزاده، فاضل شجاعی، مهدی پورفتح، مریم سلیمانی (1402) بررسی ساختارهای دوبعدی برای کاربردهای فوتوکاتالیستی جهت تولید سوخت سبز
3	عاطفه مهربان، فرخنده مظفری، فاضل شجاعی (1401) شبیه سازی دینامیک مولکولی مخلوط مایع یونی 1-اتیل-3-متیل ایمیدازولیوم متیل سولفات و آب
4	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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