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Shiqi Huang

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Modulation of Graphene Oxidation Using Substrate-Induced Electron-Hole Puddles for Advancing Molecular Separation

Kumar Varoon Agrawal, Kuang-Jung Hsu, Heng-Yu Chi, Ranadip Goswami, Shiqi Huang

Tuning the reactivity of graphene enables molecular-level engineering of the lattice, achieving desired chemical and structural properties through functionalization, doping, and etching. Atom-thin graphene film hosting Å-scale pores, with capability to dif ...

2025

Graphene membranes with pyridinic nitrogen at pore edges for high-performance CO2 capture

Andreas Züttel, Kumar Varoon Agrawal, Kuang-Jung Hsu, Heng-Yu Chi, Marina Micari, Xuekui Duan, Shuqing Song, Luis Francisco Villalobos Vazquez de la Parra, Shiqi Huang, Shaoxian Li

Membranes based on a porous two-dimensional selective layer offer the potential to achieve exceptional performance to improve energy efficiency and reduce the cost for carbon capture. So far, separation from two-dimensional pores has exploited differences ...

Nature Portfolio2024

Unraveling the Oxidation of a Graphitic Lattice: Structure Determination of Oxygen Clusters

Nicola Marzari, Kumar Varoon Agrawal, Shiqi Huang, Shaoxian Li

Unraveling the oxidation of graphitic lattice is of great interest for atomic-scale lattice manipulation. Herein, we build epoxy cluster, atom by atom, using Van der Waals' density-functional theory aided by Clar's aromatic it-sextet rule. We predict the f ...

Amer Physical Soc2023

Mechanistic Insights on Functionalization of Graphene with Ozone

Nicola Marzari, Kumar Varoon Agrawal, Kuang-Jung Hsu, Nicéphore Arthur François Bonnet, Luc Sébastien Bondaz, Shiqi Huang, Shaoxian Li

The exposure of graphene to O-3 results in functionalization of its lattice with epoxy, even at room temperature. This reaction is of fundamental interest for precise lattice patterning, however, is not well understood. Herein, using van der Waals density ...

Amer Chemical Soc2023

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

Enhanced Water Evaporation from A-Scale Graphene Nanopores

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

Enhancing the kinetics of liquid-vapor transition from nanoscale confinements is an attractive strategy for developing evaporation and separation applications. The ultimate limit of confinement for evaporation is an atom thick interface hosting angstrom-sc ...

AMER CHEMICAL SOC2022

Crack-Free Monolayer Graphene Interlayer for Improving Perovskite Crystallinity and Energy Level Alignment in Efficient Inverted Perovskite Solar Cells

Mohammad Khaja Nazeeruddin, Kumar Varoon Agrawal, Yen-Cheng Liu, Hiroyuki Kanda, Shiqi Huang

Inverted planar perovskite solar cells (PSCs) have intrigued great promise in negative hysteresis, simple fabrication process, and flexible substrate implementation, in which the shared hole transport materiel is NiOx. However, the low-temperature solution ...

WILEY-V C H VERLAG GMBH2022

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

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

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

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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

Crack-Free Monolayer Graphene Interlayer for Improving Perovskite Crystallinity and Energy Level Alignment in Efficient Inverted Perovskite Solar Cells

Mohammad Khaja Nazeeruddin, Kumar Varoon Agrawal, Yen-Cheng Liu, Hiroyuki Kanda, Shiqi Huang

WILEY-V C H VERLAG GMBH2022

Unraveling the Oxidation of a Graphitic Lattice: Structure Determination of Oxygen Clusters

Nicola Marzari, Kumar Varoon Agrawal, Shiqi Huang, Shaoxian Li

Amer Physical Soc2023