Kumar Varoon Agrawal

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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

Rapid Gas Transport from Block-Copolymer Templated Nanoporous Carbon Films

Kumar Varoon Agrawal, Kuang-Jung Hsu, Marina Micari, Xuekui Duan, Mostapha Dakhchoune, Luis Francisco Villalobos Vazquez de la Parra, Jing Zhao

Porous carbon films, attributed to their superior thermal and chemical robustness, are attractive for a number of applications. In the context of molecular separation, a major focus has been on films where the effective pore diameter is lower than 1 nm, e. ...

AMER CHEMICAL SOC2021

Multipulsed Millisecond Ozone Gasification for Predictable Tuning of Nucleation and Nucleation-Decoupled Nanopore Expansion in Graphene for Carbon Capture

Kumar Varoon Agrawal, Mounir Driss Mensi, Kuang-Jung Hsu, Heng-Yu Chi, Luis Francisco Villalobos Vazquez de la Parra, Mostapha Dakhchoune, Shiqi Huang, Guangwei He, Wan-Chi Lee

Predictable and tunable etching of angstrom-scale nanopores in single-layer graphene (SLG) can allow one to realize high-performance gas separation even from similar-sized molecules. We advance toward this goal by developing two etching regimes for SLG whe ...

2021

Method of preparation of porous polymeric support layer and uses thereof

Kumar Varoon Agrawal, Luis Francisco Villalobos Vazquez de la Parra, Deepu Joseph Babu

The invention relates to methods for the preparation of polymer supported graphene membrane by non-solvent induced phase separation and resulting products thereof, in particular useful for the preparation of gas separation membranes, in particular for He o ...

2021

Bottom-up synthesis of graphene films hosting atom-thick molecular-sieving apertures

Emad Oveisi, Kumar Varoon Agrawal, Kuang-Jung Hsu, Cédric Karel J Van Goethem, Victor Carle Adrien Boureau, Kangning Zhao, Luis Francisco Villalobos Vazquez de la Parra, Mostapha Dakhchoune, Shiqi Huang, Shaoxian Li

Incorporation of a high density of molecular-sieving nanopores in the graphene lattice by the bottom-up synthesis is highly attractive for high-performance membranes. Herein, we achieve this by a controlled synthesis of nanocrystalline graphene where incom ...

National Academy of Sciences2021

Mechanistic Study on Thermally Induced Lattice Stiffening of ZIF-8

Wendy Lee Queen, Kumar Varoon Agrawal, Pascal Alexander Schouwink, Jian Hao, Mehrdad Asgari, Deepu Joseph Babu, Qi Liu

The flexibility of the ZIF-8 aperture, which inhibits a molecular cutoff of 3.4 angstrom, can be reduced by rapid heat treatment to obtain CO2-selective membranes. However, the early stages of the structural, morphological, and chemical changes responsible ...

2021

Gas Transport across Carbon Nitride Nanopores: A Comparison of van der Waals Functionals against the Random-Phase Approximation

Nicola Marzari, Kumar Varoon Agrawal, Nicola Colonna, Davide Campi

C2N is an ordered two-dimensional carbon nitride with a high density (1.7 x 10 14 cm(-2)) of 3.1 angstrom-sized nanopores, making it promising for highflux gas sieving for energy-efficient He and H-2 purification. Herein, we discuss the accurate calculatio ...

AMER CHEMICAL SOC2021

Systematic design of millisecond gasification reactor for the incorporation of gas-sieving nanopores in single-layer graphene

Kumar Varoon Agrawal, Kuang-Jung Hsu, Luis Francisco Villalobos Vazquez de la Parra, Shiqi Huang, Shaoxian Li

Etching an ensemble of vacancy defects (nanopores) in single-layer graphene (SLG) to obtain a high density of nanopores with an effective size that enables high-performance gas sieving is challenging. This is because nanopore nucleation and expansion are u ...

2021

Millisecond lattice gasification for high-density CO2- and O2-sieving nanopores in single-layer graphene

Emad Oveisi, Kumar Varoon Agrawal, Marina Micari, Mounir Driss Mensi, Luis Francisco Villalobos Vazquez de la Parra, Mostapha Dakhchoune, Shiqi Huang, Shaoxian Li, Deepu Joseph Babu

Etching single-layer graphene to incorporate a high pore density with sub-angstrom precision in molecular differentiation is critical to realize the promising high-flux separation of similar-sized gas molecules, e.g., CO2 from N2. However, rapid etching ki ...

2021

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Systematic design of millisecond gasification reactor for the incorporation of gas-sieving nanopores in single-layer graphene

Kumar Varoon Agrawal, Kuang-Jung Hsu, Luis Francisco Villalobos Vazquez de la Parra, Shiqi Huang, Shaoxian Li

2021

Multipulsed Millisecond Ozone Gasification for Predictable Tuning of Nucleation and Nucleation-Decoupled Nanopore Expansion in Graphene for Carbon Capture

Kumar Varoon Agrawal, Mounir Driss Mensi, Kuang-Jung Hsu, Heng-Yu Chi, Luis Francisco Villalobos Vazquez de la Parra, Mostapha Dakhchoune, Shiqi Huang, Guangwei He, Wan-Chi Lee

2021

Gas Transport across Carbon Nitride Nanopores: A Comparison of van der Waals Functionals against the Random-Phase Approximation

Nicola Marzari, Kumar Varoon Agrawal, Nicola Colonna, Davide Campi

AMER CHEMICAL SOC2021