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We report an in-depth study of the reduction of graphene oxide (GO) by in-situ thermal transmission electron microscopy (TEM) analysis. In-situ heating high-resolution TEM (HRTEM) imaging and electron energy-loss spectroscopy (EELS)…

Materials Science · Physics 2021-04-15 M. Pelaez-Fernandez , A. Bermejo , A. M. Benito , W. K. Maser , R. Arenal

Graphene oxide (GO) is one of chemically modified graphenes and has been extensively investigated worldwide. A monolayer sheet of GO can be chemically produced in solution and it has been expected to be adaptable to a wide variety of…

Materials Science · Physics 2011-02-11 Yoshio Kanamori , Seiji Obata , Koichiro Saiki

There is a long-standing question about the molecular configuration of interfacial water molecules in the proximity of solid surfaces, particularly carbon atoms which play a crucial role in electrochemistry and biology. In this study, the…

Statistical Mechanics · Physics 2021-03-03 Iman Ahmadabadi , Ali Esfandiar , Ali Hassanali , Mohammad Reza Ejtehadi

Graphene oxide (GO), the functionalized graphene with oxygenated groups (mainly epoxy and hydroxyl), has attracted resurgent interests in the past decade owing to its large surface area, superior physical and chemical properties, and easy…

Materials Science · Physics 2020-01-14 Xiaoming Huang , Lizhao Liu , Si Zhou , Jijun Zhao

Mirroring their role in electrical and optical physics, two-dimensional crystals are emerging as novel platforms for fluid separations and water desalination, which are hydrodynamic processes that occur in nanoscale environments. For…

Statistical Mechanics · Physics 2016-05-11 Steven E. Strong , Joel D. Eaves

Graphene-water interaction has been under scrutiny ever since graphene discovery and realization of its exceptional properties. Several computational and experimental reports exist that have tried to look into the interactions involved,…

Materials Science · Physics 2020-02-19 Priyanka Solanky , Vidushi Sharma , Kamalika Ghatak , Jatin Kashyap , Dibakar Datta

We perform a density functional theory study of the effects of oxygen adsorption on the structural and electronic properties of Gr/Co(0001) and Gr/Co/Ir(111) interfaces. In both interfaces, the graphene-Co distance increases with increasing…

Materials Science · Physics 2022-08-05 Dario A. Leon , Andrea Ferretti , Daniele Varsano , Elisa Molinari , Claudia Cardoso

Water inside the low dimensional carbon structures has been considered seriously owing to fundamental interest in its flow and structures as well as its practical impact. Recently, the anomalous perfect penetration of water through graphene…

Mesoscale and Nanoscale Physics · Physics 2015-06-16 Danil W. Boukhvalov , Mikhail I. Katsnelson , Young-Woo Son

In reverse osmosis (RO) and nanofiltration (NF) membranes, the polymer structure and interactions with solvent and solutes dictate the permeability and selectivity. However, these interactions have not been fully characterized within…

Soft Condensed Matter · Physics 2025-11-03 Nathanael S. Schwindt , Anthony P. Straub , Michael F. Toney , Michael R. Shirts

Understanding the interactions of ambient molecules with graphene and adjacent dielectrics is of fundamental importance for a range of graphene-based devices, particularly sensors, where such interactions could influence the operation of…

Mesoscale and Nanoscale Physics · Physics 2015-11-30 Eric J. Olson , Rui Ma , Tao Sun , Mona A. Ebrish , Nazila Haratipour , Kyoungmin Min , Narayana R. Aluru , Steven J. Koester

Graphene, a two-dimensional (2D) promising emergent photocatalyst consisting of earth-abundant elements. This study evaluated the potential of graphene oxide (GO) towards photocatalytic degradation of a novel organic dye, Methylene Blue…

Molecular dynamics simulations are carried out to explore the dynamical crossover phenomenon in strongly confined and mildly supercooled water in graphene oxide nanopores. In contrast to studies where confinement is used to study the…

Soft Condensed Matter · Physics 2020-03-09 Rajasekaran M , K. Ganapathy Ayappa

Fast slip flow was reported for water inside the interlayer gallery between graphene layers or carbon nanotubes. We report here that this flow rate enhancement (over two orders) breaks down with the presence of chemical functionalization…

Mesoscale and Nanoscale Physics · Physics 2014-06-05 Ning Wei , Zhiping Xu

We design an all-carbon membrane for the filtration and desalination of water. A unique layered assembly of carbon nanostructures including graphite oxide (GO), buckypaper consisting of carbon nanotubes, and a strong carbon fabric provides…

Materials Science · Physics 2019-09-04 David Tománek , Andrii Kyrylchuk

Graphene nanochannels are relevant for their possible applications, as in water purification, and for the challenge of understanding how they change the properties of confined liquids. Here, we use all-atom molecular dynamics simulations to…

Soft Condensed Matter · Physics 2021-03-25 Carles Calero , Giancarlo Franzese

In this study, we use the density functional theory (DFT) calculations and the molecular dynamics (MD) simulations to investigate the performance of graphenylene--1 membrane for hydrogen ($H_2$) purification and helium ($He$) separation.…

Materials Science · Physics 2020-03-18 Parham Rezaee , Hamid Reza Naeij

Oxidation of graphite and subsequent exfoliation leads to single layer graphene oxide (GO). GO has found many applications across diverse fields including medicinal chemistry, catalysis as well as a precursor for graphene. One of the key…

Materials Science · Physics 2024-09-04 Sownyak Mondal , Soumya Ghosh

We study local electronic properties of graphene oxide (GO) and reduced graphene oxide (RGO) on metallic (Pt) and insulating (Si3N4) substrates in controlled humidity environment. We demonstrate that the supporting substrate plays a crucial…

Biological membranes are essential for the cell life and hydration water provides the driving force for their assembly and stability. Here we study the structural properties of water in a phospholipid membrane. We characterize local…

Soft Condensed Matter · Physics 2017-03-24 Fausto Martelli , Hsin-Yu Ko , Carles Calero Borallo , Giancarlo Franzese

Interlayer space in graphite is impermeable to ions and molecules, including protons. Its controlled expansion would find several applications in desalination, gas purification, high-density batteries, etc. In the past, metal intercalation…

Mesoscale and Nanoscale Physics · Physics 2022-01-26 Lalita Saini , Siva Sankar Nemala , Aparna Rathi , Suvigya Kaushik , Gopinadhan Kalon