Publications by Mohammad Tohidivahdat

Molecular simulation on two-dimensional nanoporous material for energy-efficient separation

The energy-consumption by the chemical and petrochemical industry in the European Union (EU) accounts for about quarter of its energy footprint. Approximately half of this energy goes toward chemical separation, currently dominated by thermally-driven pro ...

EPFL2023

In Situ Nucleation-Decoupled and Site-Specific Incorporation of angstrom-Scale Pores in Graphene Via Epoxidation

Nicola Marzari, Kumar Varoon Agrawal, Kuang-Jung Hsu, Heng-Yu Chi, Luc Sébastien Bondaz, Victor Carle Adrien Boureau, Luis Francisco Villalobos Vazquez de la Parra, Shiqi Huang, Shaoxian Li, Mohammad Tohidivahdat

Generating pores in graphene by decoupled nucleation and expansion is desired to achieve a fine control over the porosity, and is desired to advance several applications. Herein, epoxidation is introduced, which is the formation of nanosized epoxy clusters ...

Wiley-V C H Verlag Gmbh2022

Machine-learning accelerated identification of exfoliable two-dimensional materials

Kumar Varoon Agrawal, Giovanni Pizzi, Mohammad Tohidivahdat

Two-dimensional (2D) materials have been a central focus of recent research because they host a variety of properties, making them attractive both for fundamental science and for applications. It is thus crucial to be able to identify accurately and effici ...

IOP Publishing Ltd2022

Structure Evolution of Graphitic Surface upon Oxidation: Insights by Scanning Tunneling Microscopy

Nicola Marzari, Kumar Varoon Agrawal, Mounir Driss Mensi, Kuang-Jung Hsu, Shiqi Huang, Shaoxian Li, Mohammad Tohidivahdat

Oxidation of graphitic materials has been studied for more than a century to synthesize materials such as graphene oxide, nanoporous graphene, and to cut or unzip carbon nanotubes. However, the understanding of the early stages of oxidation is limited to t ...

AMER CHEMICAL SOC2022