Masoud Shahrokhi

7PUBLICATIONS
9CO-AUTHORS
Catalysis and mechanisms of reactionsElemental semiconductorsOrganic semiconductorsMolecular and organic electronicsCondensed matter modelling and density functional theory
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Publications (7)

|Aug 27, 2026
Spin-controlled electro- and photocatalysis: principles, modeling, and enhancement strategies.

|Mar 14, 2026
First-Principles Insights into Recently Synthesized α'-B8H4 Hydrogenated Borophene: A Stable Semiconducting Monolayer for UV Photodetection and Optoelectronic Applications.

Bohayra Mortazavi, Masoud Shahrokhi, Fazel Shojaei

|Mar 29, 2022
Highly anisotropic mechanical and optical properties of 2D NbOX2 (X = Cl, Br, I) revealed by first-principle.

Bohayra Mortazavi, Masoud Shahrokhi, Brahmanandam Javvaji

|Mar 07, 2022
A first-principles and machine-learning investigation on the electronic, photocatalytic, mechanical and heat conduction properties of nanoporous C5N monolayers.

Bohayra Mortazavi, Masoud Shahrokhi, Fazel Shojaei

|Jul 26, 2021
2D MoO3-S/MoS2 van der Waals Assembly: A Tunable Heterojunction with Attractive Properties for Photocatalysis.

Masoud Shahrokhi, Pascal Raybaud, Tangui Le Bahers

|Dec 18, 2020
Two-dimensional carbon nitride C6N nanosheet with egg-comb-like structure and electronic properties of a semimetal.

A Bafekry, M Shahrokhi, A Shafique

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Frequent Collaborators

4 joint publications

Bohayra Mortazavi

1 joint publications

A Bafekry

1 joint publications

H R Jappor

1 joint publications

S A H Feghhi