Surface Engineering of Graphene for Electrocatalysis

Surface Engineering of Graphene for Electrocatalysis

A Unique Process of Graphene Surface Functionalization for Sustainability

1st Edition - September 1, 2023

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  • Authors: Aneeya Samantara, Satyajit Ratha, Brahmananda Chakraborty
  • Paperback ISBN: 9780323909013

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Surface Engineering of Graphene for Electrocatalysis: A Unique Process of Graphene Surface Functionalization for Sustainability provides a detailed knowledge-base on the historical evolution of graphene, its inherent physicochemical properties, various state-of-the-art synthetic protocols and subsequent surface engineering (functionalization and composite formation with different nanostructured materials) through feasible physico-chemical processes. Keeping in mind the urgency of electrocatalysis for sustainable energy, the book fundamentally discusses electrocatalysis, including electrochemical measurement techniques, reaction mechanisms, technical parameters for catalyst performance evaluation and the reported electrocatalysts.In addition, the book presents the impact of surface engineering of graphene on electrocatalytic systems and includes theoretical calculations/discussions in support of experimental findings that will improve understanding.

Key Features

  • Comprehensively covers synthesis and surface engineering processes of graphene
  • Includes the fundamentals of electrocatalysis and the state-of-the-art processes for electrocatalyst evaluation
  • Discusses experimental findings and theoretical investigations of electrocatalysis using surface engineered graphene
  • Contains updated information from recent research articles and patents


Researchers in academia and industry working in electrocatalysis, energy engineering, and materials engineering

Table of Contents

  • 1. Background

    2. Physicochemical Properties and Advanced Characterizations of Graphene and Surface Engineered Graphene

    3. State-of-the-art Synthesis Approaches
    3.1. Top-down Synthetic Approach
    3.2. Bottom-up Synthetic Approach

    4. Theoretical Modelling of Graphene and Surface Engineered Graphene
    4.1 Importance of Theoretical Modelling & Simulations for Electrocatalytic Application of Graphene Based Materials
    4.2 Overview of Quantum Simulations
    4.3 Modelling Graphene and Reduced Graphene oxides
    4.4 Simulation of Graphene Based Hybrid Structures
    4.5 Effects of Doping and Defects in Graphene
    4.5.1 Modification in structural properties Structural Changes
    4.5.2 Modification in electronic properties Electronic Properties
    4.5.3 Modification in magnetic properties Magnetic Characteristics

    5. Surface Engineering of Graphene: A Novel Route for Composite Preparation and Functionalization
    5.1. In-situ Process
    5.2. Ex-situ Process

    6. Fundamentals of Electrocatalysis and Key Parameters for Catalyst Performance Evaluation
    6.1 Oxygen Evolution and Reduction Reaction
    6.2 Hydrogen Evolution and Oxidation Reaction
    6.3 Methanol Oxidation Reaction
    6.4 Formic Acid Oxidation Reaction
    6.5 CO2 Reduction Reaction

    7. Application of Surface Engineered Graphene in Electrocatalysis
    7.1. Graphene and Activated Graphene
    7.2. Graphene/Noble Metal Based Composites
    7.3. Graphene/Non-noble Metal Based Metal Composites
    7.3.1. Composites with Metal Oxides
    7.3.2. Composites with Metal Chalcogenides
    7.3.3. Composites with Metal Phosphides
    7.3.4. Composites with Metal Nitrides

    8. Theoretical Insight for Electrocatalytic Application of Graphene Based Materials
    8.1 Oxygen and Hydrogen Evolution Reactions
    8.1.1 Computation of Overpotential
    8.1.2 Computation of Gibb’s Free Energy
    8.2 Electrochemical Energy Storage Application
    8.2.1 Electronic Band-gap
    8.2.2 Quantum Capacitance
    8.2.3 Diffusion Barrier of Electrolytic Ions

    9. Perspectives for Future Development

Product details

  • No. of pages: 362
  • Language: English
  • Copyright: © Elsevier 2023
  • Published: September 1, 2023
  • Imprint: Elsevier
  • Paperback ISBN: 9780323909013

About the Authors

Aneeya Samantara

Aneeya Kumar Samantara, PhD, is presently working as a postdoctoral fellow in the School of Chemical Sciences, National Institute of Science Education and Research, Khordha, Odisha, India. Additionally, Dr. Samantara is working as Advisory Board member in Editorial Board of a number of Publishing Houses. Recently he joined as Community Board Member of “Materials Horizon”, one of the leading Journals in materials science, published by the Royal Society of Chemistry, London. He has authored/co-authored about 23 peer-reviewed international journal articles, ten books (with Springer Nature, Nova Science, Arcler Press, Intech Open), and four book chapters. Several publications are in the press now and expected to be published soon. He pursued his PhD at the CSIR-Institute of Minerals and Materials Technology, Bhubaneswar, Odisha, India. Before joining the PhD program, he completed his master of philosophy (MPhil) degree in chemistry at Utkal University and his master in science degree in advanced organic chemistry at Ravenshaw University, Cuttack, Odisha, India. Dr. Samantara’s research interests include the synthesis of metal oxide/chalcogenides and graphene composites for energy storage and conversion applications.

Affiliations and Expertise

Post doctorate fellow, School of Chemical Sciences, National Institute of Science Education and Research, Jatni, Khurda, 752050, India

Satyajit Ratha

Satyajit Ratha, PhD, pursued his PhD at the Indian Institute of Technology Bhubaneswar, India. Recently he joined as Community Board Member of the “Nanoscale Horizon”, one of the leading Journals in materials science, published by the Royal Society of Chemistry, London. Prior to joining Indian Institute of Technology Bhubaneswar, he received his Bachelor of Science degree, First Class Honours, from Utkal University and his Master of Science degree from Ravenshaw University. His research interests include synthesis and characterisations of two-dimensional semiconductors, nanostructures and their application in energy storage devices and supercapacitors. He has authored and co-authored about 21 peer-reviewed international journals and several books/book-chapters with publishers of international repute.

Affiliations and Expertise

MSchool of Basic Sciences, Indian Institute of Technology Bhubaneswar, Odisha, India, 752050

Brahmananda Chakraborty

Dr. Brahmananda Chakraborty is a senior scientist (Scientist-G) in High Pressure & Synchrotron Radiation Physics Division of Bhabha Atomic Research Centre, Mumbai and Associate Professor in Homi Bhabha National institute, Mumbai, India. His current research interest includes Density Functional Theory (DFT) & Molecular Dynamics (MD) simulations of various 2D materials for energy storage (both electrochemical and hydrogen), bio-Sensors, and photo-catalytic activities. He is also involved in simulating reactor fuel and structural materials and investigating behavior of materials under high pressure. Dr. Chakraborty got his Ph.D. degree from IIT Bombay, for his research topic on ‘Irradiation Effects and Hydrogen Storage on Carbon Nanotubes’. He did two years Postdoctoral research in North Carolina State University, USA. He received International Association of Advanced Material (IAAM) Scientist Medal in 2017. He has submitted one invited book (Co-Editor and Co-Author) on “2D Metallic Transition Metal Dichalcogenides: Fundamentals and Applications” to Nova Publishers, New York, USA. He has published book chapters in Elsevier and in Apple Academic Press. He has very good experience of teaching while taking courses on Density Functional Theory at North Carolina State University, USA, and Computational Physics and Statistical Physics at Homi Bhabha National Institute, Mumbai. Dr. Chakraborty is also a regular reviewer in reputed international journals like the Journal of Physical Chemistry, CARBON, and Physical Chemistry Chemical Physics etc.

Affiliations and Expertise

Associate Professor, Homi Bhabha National Institute, Mumbai, India-400094; Scientist-G, High Pressure & Syncotron Radiation Physics Division, Purnima Laboratories, Bhabha Atomic Research Centre, Trombay, Mumbai-400085, India

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