Publications




First-principles discovery of stable, anisotropic, semiconducting Sb2X2O (X = S, Se) and Janus Sb2SSeO nanosheets for optoelectronics and photocatalysis
Masoud Shahrokhikhorneh, Bohayra Mortazavi
Year: 2026, Materials Today Energy
journal article
 
Machine learning-assisted first-principles study of structural, electronic, optical, thermal, and mechanical properties of novel s-triazine-based organic framework monolayers
Bohayra Mortazavi, Fazel Shojaei, Masoud Shahrokhikhorneh, Xiaoying Zhuang
Year: 2026, Carbon
journal article
 
Stability of single-atom Pt-alloyed cu clusters supported on γ-Al2O3: A DFT study of size and oxidizing environment effects
Masoud Shahrokhikhorneh
Year: 2026, Computational Materials Science
journal article
 

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