Search Results - "Shojaei, Fazel"

Graphsene as a novel porous two-dimensional carbon material for enhanced oxygen reduction electrocatalysis by Hosseini, Mohammadreza, Soleimani, Maryam, Shojaei, Fazel, Pourfath, Mahdi

“…Graphene allotropes with varied carbon configurations have attracted significant attention for their unique properties and chemical activities. This study…”
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Reversible Halide Exchange Reaction of Organometal Trihalide Perovskite Colloidal Nanocrystals for Full-Range Band Gap Tuning by Jang, Dong Myung, Park, Kidong, Kim, Duk Hwan, Park, Jeunghee, Shojaei, Fazel, Kang, Hong Seok, Ahn, Jae-Pyung, Lee, Jong Woon, Song, Jae Kyu

“…In recent years, methylammonium lead halide (MAPbX3, where X = Cl, Br, and I) perovskites have attracted tremendous interest caused by their outstanding…”
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Comment on “Erratum: ‘Two-dimensional porous graphitic carbon nitride C6N7 monolayer: First-principles calculations’ [Appl. Phys. Lett. 119, 142102 (2021)]” [Appl. Phys. Lett. 120, 189901 (2022)] by Mortazavi, Bohayra, Shojaei, Fazel, Shahrokhi, Masoud

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Remarkably high tensile strength and lattice thermal conductivity in wide band gap oxidized holey graphene C2O nanosheet by Shojaei, Fazel, Zhang, Qinghua, Zhuang, Xiaoying, Mortazavi, Bohayra

“…Recently, the synthesis of oxidized holey graphene with the chemical formula C 2 O has been reported (J. Am. Chem. Soc. 2024, 146, 4532). We herein employed a…”
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Red-to-Ultraviolet Emission Tuning of Two-Dimensional Gallium Sulfide/Selenide by Jung, Chan Su, Shojaei, Fazel, Park, Kidong, Oh, Jin Young, Im, Hyung Soon, Jang, Dong Myung, Park, Jeunghee, Kang, Hong Seok

“…Graphene-like two-dimensional (2D) nanostructures have attracted significant attention because of their unique quantum confinement effect at the 2D limit…”
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A Theoretical Investigation on the Physical Properties of Zirconium Trichalcogenides, ZrS3, ZrSe3 and ZrTe3 Monolayers by Mortazavi, Bohayra, Shojaei, Fazel, Yagmurcukardes, Mehmet, Makaremi, Meysam, Zhuang, Xiaoying

“…In a recent advance, zirconium triselenide (ZrSe3) nanosheets with anisotropic and strain-tunable excitonic response were experimentally fabricated. Motivated…”
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Phase Evolution of Tin Nanocrystals in Lithium Ion Batteries by Im, Hyung Soon, Cho, Yong Jae, Lim, Young Rok, Jung, Chan Su, Jang, Dong Myung, Park, Jeunghee, Shojaei, Fazel, Kang, Hong Seok

“…Sn-based nanostructures have emerged as promising alternative materials for commercial lithium–graphite anodes in lithium ion batteries (LIBs). However, there…”
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First-principles investigation of electronic, optical, mechanical and heat transport properties of pentadiamond: A comparison with diamond by Mortazavi, Bohayra, Shojaei, Fazel, Zhuang, Xiaoying, Pereira, Luiz Felipe C.

“…[Display omitted] Pentadiamond is a carbon allotrope consisting of hybrid sp2 and sp3 atoms, which has been predicted to be stable and synthesizable. In this…”
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Electronic, Optical, Mechanical and Li-Ion Storage Properties of Novel Benzotrithiophene-Based Graphdiyne Monolayers Explored by First Principles and Machine Learning by Mortazavi, Bohayra, Shojaei, Fazel, Shahrokhi, Masoud, Rabczuk, Timon, Shapeev, Alexander V., Zhuang, Xiaoying

“…Recently, benzotrithiophene graphdiyne (BTT-GDY), a novel two-dimensional (2D) carbon-based material, was grown via a bottom-up synthesis strategy. Using the…”
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CdInGaS4: An unexplored two- dimensional materials with desirable band gap for optoelectronic devices by Mahdavifar, Zabiollah, Shojaei, Fazel

“…The discovery of two-dimensional (2D) compounds with excellent optoelectronic properties have attracted much scientific attention. Based on first-principles…”
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Ultrahigh carrier mobility, Dirac cone and high stretchability in pyrenyl and pyrazinoquinoxaline graphdiyne/graphyne nanosheets confirmed by first-principles by Shojaei, Fazel, Mortazavi, Bohayra

“…•Novel graphdiyne/graphyne two-dimensional semiconductors are predicted.•Thermal stability, mechanical, electronic and optical properties are studied using the…”
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Electronic Structure and Carrier Mobility of Two-Dimensional α Arsenic Phosphide by Shojaei, Fazel, Kang, Hong Seok

“…Using first-principles calculations, we investigate electronic structures of α arsenic phosphide under strain. It is a two-dimensional monolayer composed of an…”
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Exceptional piezoelectricity, high thermal conductivity and stiffness and promising photocatalysis in two-dimensional MoSi2N4 family confirmed by first-principles by Mortazavi, Bohayra, Javvaji, Brahmanandam, Shojaei, Fazel, Rabczuk, Timon, Shapeev, Alexander V., Zhuang, Xiaoying

“…Chemical vapor deposition has been most recently employed to fabricate centimeter-scale high-quality single-layer MoSi2N4 (Science; 2020;369; 670). Motivated…”
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Electronic Structures and Li-Diffusion Properties of Group IV–V Layered Materials: Hexagonal Germanium Phosphide and Germanium Arsenide by Shojaei, Fazel, Kang, Hong Seok

“…Based on density functional theory (DFT) calculations that include an empirical van der Waals interaction, we propose a layered hexagonal phase of bulk GeP and…”
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BODIPY-Based Macrostructures: A Design Strategy toward Enhancing the Efficiency of Dye-Sensitized Solar Cells by Kheshti, Tahere, Shojaei, Fazel, Mohajeri, Afshan

“…Among the metal-free dyes, boron dipyrromethene (BODIPY) has attracted much attention in the solar cell industry due to its thermal stability and tunable…”
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Janus SnXY monolayers (X= P, As, Sb; YH, CH3): A new class of two-dimensional photocatalysts for water splitting by Sotudeh, Maryam, Mohajeri, Afshan, Shojaei, Fazel

“…Following the successful synthesis of NaSnAs in 2021, in the present study, a series of two-dimensional SnXY monolayers with X = P, As, Sb, and Y = H, CH3 are…”
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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] by Shojaei, Fazel, Mortazavi, Bohayra, Shahrokhi, Masoud

“…[Display omitted] •Errors are found in a recent study, https://doi.org/10.1016/j.apsusc.2021.152356.•PdPSe-based Janus monolayers should be called either…”
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Adsorption behavior of some green corrosion inhibitors on Fe (110) surface: The critical role of d-π interactions in binding strength by Hamidi, Hoda, Shojaei, Fazel, Pourfath, Mahdi, Vaez-Zadeh, Mehdi

“…[Display omitted] •Among the studied molecules, those with larger π–networks have greater adsorption energies at the Fe (110) surface, thus better corrosion…”
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Nanoporous C3N4, C3N5 and C3N6 nanosheets; novel strong semiconductors with low thermal conductivities and appealing optical/electronic properties by Mortazavi, Bohayra, Shojaei, Fazel, Shahrokhi, Masoud, Azizi, Maryam, Rabczuk, Timon, Shapeev, Alexander V., Zhuang, Xiaoying

“…Carbon nitride two-dimensional (2D) materials are among the most attractive class of nanomaterials, with wide range of application prospects. As a continuous…”
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Anisotropic and outstanding mechanical, thermal conduction, optical, and piezoelectric responses in a novel semiconducting BCN monolayer confirmed by first-principles and machine learning by Mortazavi, Bohayra, Shojaei, Fazel, Yagmurcukardes, Mehmet, Shapeev, Alexander V., Zhuang, Xiaoying

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