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Physical Chemistry Chemical Physics : PCCP|October 9, 2019
Evolutionary search for (M©B16)Q (M = Sc-Ni; Q = 0/-1) clusters: bowl/boat vs. tubular shapeZabiollah Mahdavifar, Fazel Shojaei
Physical Chemistry Chemical Physics : PCCP|November 22, 2016
Electronic structure of the germanium phosphide monolayer and Li-diffusion in its bilayerFazel Shojaei, Hong Seok Kang
Physical Chemistry Chemical Physics : PCCP|March 9, 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, 9990Suman Chowdhury, Fazel Shojaei, Bohayra Mortazavi
The Journal of Physical Chemistry. A|May 1, 2024
BODIPY-Based Macrostructures: A Design Strategy toward Enhancing the Efficiency of Dye-Sensitized Solar CellsTahere Kheshti, Fazel Shojaei, Afshan Mohajeri
Physical Chemistry Chemical Physics : PCCP|January 3, 2015
Reactivity of the free and (5,5)-carbon nanotube-supported AuPt bimetallic clusters towards O2 activation: a theoretical studyFazel Shojaei, Masoumeh Mousavi, Fariba Nazari, et al.
Materials (Basel, Switzerland)|March 14, 2026
First-Principles Insights into Recently Synthesized α'-B8H4 Hydrogenated Borophene: A Stable Semiconducting Monolayer for UV Photodetection and Optoelectronic ApplicationsBohayra Mortazavi, Masoud Shahrokhi, Fazel Shojaei, et al.
Discover Nano|June 11, 2024
Remarkably high tensile strength and lattice thermal conductivity in wide band gap oxidized holey graphene C2O nanosheetFazel Shojaei, Qinghua Zhang, Xiaoying Zhuang, et al.
Scientific Reports|April 21, 2024
Graphsene as a novel porous two-dimensional carbon material for enhanced oxygen reduction electrocatalysisMohammadreza Hosseini, Maryam Soleimani, Fazel Shojaei, et al.
RSC Advances|May 2, 2022
Copper halide diselenium: predicted two-dimensional materials with ultrahigh anisotropic carrier mobilitiesFazel Shojaei, Maryam Azizi, Zabiollah Mahdavifar, et al.
Nanoscale|March 7, 2022
A first-principles and machine-learning investigation on the electronic, photocatalytic, mechanical and heat conduction properties of nanoporous C5N monolayersBohayra Mortazavi, Masoud Shahrokhi, Fazel Shojaei, et al.
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