سامانه پژوهشی دانشگاه خلیج فارس | فاضل شجاعي

نام و نام خانوادگی	فاضل شجاعی
شغل	عضو هیئت علمی دانشگاه خلیج فارس / دانشکده علوم و فناوری نانو و زیستی / گروه شیمی
تحصیلات	دکترای تخصصی / شیمی
وبسایت	—
پست الکترونیک	fshojaei [at] pgu [dot] ac [dot] ir

	عنوان	مجله
1	First-Principles Insights into Recently Synthesized α′–B8H4 Hydrogenated Borophene: A Stable Semiconducting Monolayer for UV Photodetection and Optoelectronic Applications	MATERIALS 19 (2026) 907-...
2	Hetero[8]circulene-Based 2D Materials: A DFT Study of Electronic, Mechanical, and Transport Properties	ACS Applied Energy Materials 9 (2026) 2089-2100
3	Strain-Tuned Z-Scheme Heterostructures of GeH/GeCH 3 , GeH/InSe, and GeCH 3 /InSe for Efficient Photocatalysis	Journal of Physical Chemistry C 129 (2025) 21434-21447
4	Machine learning-assisted first-principles study of structural, electronic, optical, thermal, and mechanical properties of novel s-triazine-based organic framework monolayers	CARBON 248 (2025) 121092-...
5	Computational Screening of 2D Heterostructures for Efficient Photocatalytic Water Splitting	ACS Applied Energy Materials 8 (2025) 9748–9759
6	Transforming Boron Monoxide Monolayer with Light Metal Atoms: Stability and Electronic Properties	ACS APPLIED ELECTRONIC MATERIALS 7 (2025) 2696–2708
7	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 (1403) 93-103
8	Computational Analyses of Peganum harmala Alkaloids as Green Corrosion Inhibitors on Fe(110)	LANGMUIR 4 (2025) 3249–3258
9	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 (2024) 676-689
10	Solar-driven water splitting: Theoretical insights into M2Te5 (M=Al, In) monolayer photocatalysts	INTERNATIONAL JOURNAL OF HYDROGEN ENERGY 79 (2024) 666-675
11	Remarkably high tensile strength and lattice thermal conductivity in wide band gap oxidized holey graphene C2O nanosheet.	Nanoscale Research Letters 19 (2024) 99
12	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 (2024) 159425
13	BODIPY-Based Macrostructures: A Design Strategy toward Enhancing the Efficiency of Dye-Sensitized Solar Cells	JOURNAL OF PHYSICAL CHEMISTRY A 128 (2024) 3751–3763
14	Graphsene as a novel porous two-dimensional carbon material for enhanced oxygen reduction electrocatalysis	Scientific Reports 14 (2024) 9129
15	تأثیر اسید شویی و تابش لیزر YAG: Nd در افزایش ظرفیت ذخیره سازی گاز هیدروژن در نانولوله های کربنی	مواد پیشرفته در مهندسی 42 (1402) 17-29
16	Anomalous tensile strength and thermal expansion, and low thermal conductivity in wide band gap boron monoxide monolayer	FLATCHEM 2 (2023) 100575
17	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 (2023) 157319-...
18	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 (2023) 8961
19	Negative Poisson's ratio and thickness-dependent optoelectronic response in two-dimensional thermoelectric TlCuSe	MATERIALS CHEMISTRY AND PHYSICS 295 (2023) 127155-...
20	Corrosion inhibition effect of sodium tri-polyphosphate on reinforcing steel in simulated concrete pore solution with different pHs	CONSTRUCTION AND BUILDING MATERIALS 363 (2022) 129819
21	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 (2022) 500-509
22	A novel two-dimensional C36 fullerene network; An isotropic, auxetic semiconductor with low thermal conductivity and remarkable stiffness	Materials Today Nano 1 (2022) 100280
23	Electronic, Optical, Mechanical and Li-Ion Storage Properties of Novel Benzotrithiophene-Based Graphdiyne Monolayers Explored by First Principles and Machine Learning	BATTERIES-BASEL 8 (2022) 194
24	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 (2022) 153515
25	A Theoretical Investigation on the Physical Properties of Zirconium Trichalcogenides, ZrS3, ZrSe3 and ZrTe3 Monolayers	Energies 15 (2022) 5479
26	Comment on ‘Biphenylene monolayer as a two-dimensional nonbenzenoid carbon allotrope: a first-principles study’	JOURNAL OF PHYSICS-CONDENSED MATTER 34 (2022) 248001
27	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 (2022) 230-239
28	A first-principles and machine-learning investigation on the electronic, photocatalytic, mechanical and heat conduction properties of nanoporous C5N monolayers	Nanoscale 14 (2022) 4324
29	Outstandingly high thermal conductivity, elastic modulus, carrier mobility and piezoelectricity in two-dimensional semiconducting CrC2N4: a first-principles study	Materials Today Energy 22 (2021) 100839
30	High tensile strength and thermal conductivity in BeO monolayer: A first-principles study	FLATCHEM 28 (2021) 100257
31	Ultrahigh stiffness and anisotropic Dirac cones in BeN4 and MgN4 monolayers: a first-principles study	Materials Today Nano 15 (2021) 100125
32	Ultrahigh carrier mobility, Dirac cone and high stretchability in pyrenyl and pyrazinoquinoxaline graphdiyne/graphyne nanosheets confirmed by first-principles	APPLIED SURFACE SCIENCE 557 (2021) 149699
33	Exceptional piezoelectricity, high thermal conductivity and stiffness and promising photocatalysis in two-dimensional MoSi2N4 family confirmed by first-principles	Nano Energy 82 (2021) 105716-...
34	Nanoporous C3N4, C3N5 and C3N6 nanosheets; novel strong semiconductors with low thermal conductivities and appealing optical/electronic properties	CARBON 167 (2020) 40-50
35	First-principles investigation of mechanical, electronic and optical properties of H-, F- and Cl-diamane	APPLIED SURFACE SCIENCE 528 (2020) 147035-...
36	High thermal conductivity in semiconducting Janus and non-Janus diamanes	CARBON 167 (2020) 51-61
37	پیشنویس مقاله چاپ شده ثبت شده در 1399/10/28 1:12:1 ق.ظ	RSC Advances 10 (2020) 31894-31900
38	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 (2020) 30398-30405
39	Silicon diphosphide (SiP2) and silicon diarsenide (SiAs2): Novel stable 2D semiconductors with high carrier mobilities, promising for water splitting photocatalysts	Materials Today Energy 16 (2020) 100377-...
40	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 (2020) 2400،2410
41	Electronic Structures and Li-Diffusion Properties of Group IV–V Layered Materials: Hexagonal Germanium Phosphide and Germanium Arsenide	Journal of Physical Chemistry C 120 (2016) 23842-23850
42	Electronic Structure and Carrier Mobility of Two-Dimensional α Arsenic Phosphide	Journal of Physical Chemistry C 119 (2015) 20210-20216
43	Stability and electronic structures of triazine-based carbon nitride nanotubes	RSC Advances 5 (2015) 10892-10898
44	Continuous Tuning of Band Gap for π-Conjugated Ni Bis(dithiolene) Complex Bilayer	Journal of Physical Chemistry C 118 (2014) 25626-25632
45	Mechanical and Electronic Properties of π-Conjugated Metal Bis(dithiolene) Complex Sheets	CHEMISTRY OF MATERIALS 26 (2014) 2967-2974

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