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Wettability of Graphene and Interfacial Water Structure

34 Pages Posted: 25 Nov 2020 Publication Status: Published

See all articles by Donghwan Kim

Donghwan Kim

Institute for Basic Science (IBS) - Center for Molecular Spectroscopy and Dynamics

Eunchan Kim

Institute for Basic Science (IBS) - Center for Molecular Spectroscopy and Dynamics

Sohyun Park

Korea University - Department of Chemistry

Seungah Kim

Institute for Basic Science (IBS) - Center for Molecular Spectroscopy and Dynamics

Byung Kwon Min

Korea Institute of Science and Technology (KIST) - Clean Energy Research Center

Hyo Jae Yoon

Korea University - Department of Chemistry

Kyungwon Kwak

Institute for Basic Science (IBS) - Center for Molecular Spectroscopy and Dynamics; Korea University - Department of Chemistry

Minhaeng Cho

Institute for Basic Science (IBS) - Center for Molecular Spectroscopy and Dynamics; Korea University - Department of Chemistry

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Abstract

Understanding the graphene-water interaction, referred to as ‘wettability,’ is important for various applications, such as water desalination, filtration, energy storage, and catalysis. However, most studies on graphene's wettability have been performed with either macroscopic water contact angle measurements or molecular dynamics simulations. The detailed hydrogen-bonding network structure of water molecules at the graphene-water interface has not been fully understood at the molecular level. Here, using vibrational sum frequency generation (VSFG) spectroscopy, we elucidate the interfacial water structure and graphene hydrophobicity at a multilayer graphene-water interface. As the number of graphene layers increases, water molecules with dangling OH group become more populated. We compare the contact angles of water on the multilayer graphene surfaces with VSFG results. An excellent correlation between water adhesion energy of graphene and fraction of dangling OH groups estimated from the water OH stretch VSFG spectrum is established. This observation suggests that the VSFG could be an incisive technique for measuring water's adhesion energy on any spatially confined or blocked surface where the water contact angle cannot be measured. We further anticipate that the VSFG result on the transition from wetting transparency to translucency upon increasing the number of graphene layers will be used to understand the wettability of low-dimensional materials and the role of water structure on electric double layers of graphene-based electrodes.

Keywords: Vibrational sum frequency generation (VSFG) spectroscopy, Water contact angle (WCA) measurement, Wettability of graphene, Interfacial water structure

Suggested Citation

Kim, Donghwan and Kim, Eunchan and Park, Sohyun and Kim, Seungah and Min, Byung Kwon and Yoon, Hyo Jae and Kwak, Kyungwon and Cho, Minhaeng, Wettability of Graphene and Interfacial Water Structure. Available at SSRN: https://ssrn.com/abstract=3737814 or http://dx.doi.org/10.2139/ssrn.3737814
This version of the paper has not been formally peer reviewed.

Donghwan Kim

Institute for Basic Science (IBS) - Center for Molecular Spectroscopy and Dynamics ( email )

Seoul
Korea, Republic of (South Korea)

Eunchan Kim

Institute for Basic Science (IBS) - Center for Molecular Spectroscopy and Dynamics ( email )

Seoul
Korea, Republic of (South Korea)

Sohyun Park

Korea University - Department of Chemistry

Korea, Republic of (South Korea)

Seungah Kim

Institute for Basic Science (IBS) - Center for Molecular Spectroscopy and Dynamics ( email )

Seoul
Korea, Republic of (South Korea)

Byung Kwon Min

Korea Institute of Science and Technology (KIST) - Clean Energy Research Center ( email )

Seoul, 02792
Korea, Republic of (South Korea)

Hyo Jae Yoon

Korea University - Department of Chemistry ( email )

Korea, Republic of (South Korea)

Kyungwon Kwak

Institute for Basic Science (IBS) - Center for Molecular Spectroscopy and Dynamics ( email )

Seoul
Korea, Republic of (South Korea)

Korea University - Department of Chemistry

1 Anam-dong 5 ka
Seoul, 136-701
Korea, Republic of (South Korea)

Minhaeng Cho (Contact Author)

Institute for Basic Science (IBS) - Center for Molecular Spectroscopy and Dynamics ( email )

Seoul
Korea, Republic of (South Korea)

Korea University - Department of Chemistry

Korea, Republic of (South Korea)

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