Graphene Oxide of Extra High Oxidation: A Wafer for Loading Guest Molecules


We present a new modification of graphene oxide with very high content (85 wt %) of oxygen-containing functional groups (hydroxy, epoxy, lactol, carboxyl, and carbonyl groups) that forms stable aqueous dispersion in up to 9 g·L–1 concentration solutions. A novel faster method of the synthesis is described that produces up to 1 kg of the material and allows controlling the particle size in solution. The synthesized compound was characterized by various physicochemical methods and molecular dynamics modeling, revealing a unique structure in the form of a multilayered wafer of several sheets thick, where each sheet is highly corrugated. The ragged structure of the sheets forms pockets with hindered mobility of water that leads to the possibility of trapping guest molecules.

Publication DOI:
Divisions: College of Engineering & Physical Sciences > School of Informatics and Digital Engineering > Mathematics
College of Engineering & Physical Sciences > Aston Institute of Urban Technology and the Environment (ASTUTE)
College of Engineering & Physical Sciences > Systems analytics research institute (SARI)
College of Engineering & Physical Sciences
Additional Information: This document is the Accepted Manuscript version of a Published Work that appeared in final form in Journal of Physical Chemistry Letters, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see, see Funding: The work was supported by Russian Foundation for Basic Research (project number 19-315-90122) and the President of the Russian Federation grant for young scientists (project number MD-741.2020.7), and by the Grant of St. Petersburg in the field of scientific and technical activities in the form of subsidies in 2021 (Committee on Science and Higher Education of St. Petersburg). The equipment of the Resource Centre “GeoModel”, the Centre for Diagnostics of Functional Materials for Medicine, Pharmacology and Nanoelectronics, Interdisciplinary Resource Centre for Nanotechnology, Magnetic Resonance Research Centre, Centre for Physical Methods of Surface Investigation, Centre for Chemical Analysis and Materials Research, Thermogravimetric and Calorimetric Research Centre were used. Computational resources provided by the Resource Centre “Computer Centre of SPbU” of the Research Park of Saint Petersburg State University were used. The authors also acknowledge the Ministry of Education and Science of Ukraine for support within the project “Novel nanomaterials based on the lyophilic self-assembled systems: theoretical prediction, experimental investigation, and biomedical applications” (0120U101064). The researcher Abdelsattar Osama Elemam Abdelhalim is funded by a scholarship (EGY-6218/17) under the Joint Executive Program between the Arab Republic of Egypt and the Russian Federation.
Uncontrolled Keywords: Layers,Anode materials,Two dimensional materials,Carbon,Chemical structure,Materials Science(all),Physical and Theoretical Chemistry
Publication ISSN: 1948-7185
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Related URLs: http://www.scop ... tnerID=8YFLogxK (Scopus URL)
PURE Output Type: Article
Published Date: 2021-10-21
Published Online Date: 2021-10-07
Accepted Date: 2021-10-04
Authors: Abdelhalim, Abdelsattar O.E.
Sharoyko, Vladimir V.
Ageev, Sergei V.
Farafonov, Vladimir S.
Nerukh, Dmitry A. (ORCID Profile 0000-0001-9005-9919)
Postnov, Viktor N.
Petrov, Andrey V.
Semenov, Konstantin N.



Version: Accepted Version

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