Ab-initio-driven prediction of puckered penta-like PdPSeX (XO, S, Te) Janus monolayers: Study on the electronic, optical, mechanical and photocatalytic properties by Bafekry, A., Faraji, M., Fadlallah, Mohamed M., Jappor, H.R., Hieu, N.N., Ghergherehchi, M., Gogova, D.

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Two-dimensional XY monolayers (X = Al, Ga, In; Y = N, P, As) with a double layer hexagonal structure: A first-principles perspective by Faraji, M., Bafekry, A., Fadlallah, Mohamed M., Jappor, H.R., Nguyen, Chuong V., Ghergherehchi, M.

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First-principles investigation of nonmetal doped single-layer BiOBr as a potential photocatalyst with a low recombination rate by Obeid, Mohammed M, Stampfl, C, Bafekry, A, Guan, Z, Jappor, H. R, Nguyen, C. V, Naseri, M, Hoat, D. M, Hieu, N. N, Krauklis, A. E, Vu, Tuan V, Gogova, D

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Semiconducting Chalcogenide Alloys Based on the (Ge, Sn, Pb) (S, Se, Te) Formula with Outstanding Properties: A First-Principles Calculation Study by Bafekry, Asadollah, Shahrokhi, Masoud, Shafique, Aamir, Jappor, Hamad R, Fadlallah, Mohamed M, Stampfl, Catherine, Ghergherehchi, Mitra, Mushtaq, Muhammad, Feghhi, Seyed Amir Hossein, Gogova, Daniela

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Structural, electronic and optical properties of ABTe2 (A = Li, Na, K, Rb, Cs and B = Sc, Y, La): Insights from first-principles computations by Azzouz, L., Halit, M., Rérat, M., Khenata, R., Singh, Ajaya K., Obeid, M.M., Jappor, Hamad R., Wang, Xiaotian

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