Efficient hydrogen storage in defective graphene and its mechanical stability: A combined density functional theory and molecular dynamics simulation study
Published 2020 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
Efficient hydrogen storage in defective graphene and its mechanical stability: A combined density functional theory and molecular dynamics simulation study
Authors
Keywords
Hydrogenated defective graphene, Exothermic H, 2, desorption, Density functional theory, Molecular dynamics simulations, Activation barrier, Tensile strength
Journal
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
Volume 46, Issue 7, Pages 5485-5494
Publisher
Elsevier BV
Online
2020-12-03
DOI
10.1016/j.ijhydene.2020.11.068
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Large-scale storage of hydrogen
- (2019) Joakim Andersson et al. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
- Application of hydrides in hydrogen storage and compression: Achievements, outlook and perspectives
- (2019) Jose Bellosta von Colbe et al. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
- Dihydroazulene-vinylheptafulvene based photoswitchable lewis pairs for tunable H2 activation
- (2019) Nadeem S. Sheikh et al. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
- External stimulus controlled recombination of hydrogen in photochromic dithienylethene frustrated lewis pairs
- (2019) Fazl-i-Sattar et al. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
- Macroscale evaluation and testing of chemically hydrogenated graphene for hydrogen storage applications
- (2019) James R. Morse et al. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
- Materials for hydrogen-based energy storage – past, recent progress and future outlook
- (2019) Michael Hirscher et al. JOURNAL OF ALLOYS AND COMPOUNDS
- How can nickel decoration affect H 2 adsorption on B 12 P 12 nano-heterostructures?
- (2018) Ali Shokuhi Rad et al. JOURNAL OF MOLECULAR LIQUIDS
- Solar energy: Potential and future prospects
- (2018) Ehsanul Kabir et al. RENEWABLE & SUSTAINABLE ENERGY REVIEWS
- Limiting fossil fuel production as the next big step in climate policy
- (2018) Peter Erickson et al. Nature Climate Change
- Storing-hydrogen processes on graphene activated by atomic-vacancies
- (2017) Gagus Ketut Sunnardianto et al. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
- Transportation of hydrogen atom and molecule through X 12 Y 12 nano-cages
- (2017) Khurshid Ayub INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
- Chemisorption of hydrogen on graphene: insights from atomistic simulations
- (2017) Junjie Zhang et al. JOURNAL OF PHYSICS-CONDENSED MATTER
- Investigation of graphene-based systems for hydrogen storage
- (2017) Hamid Ghorbani Shiraz et al. RENEWABLE & SUSTAINABLE ENERGY REVIEWS
- Hydrogen storage in polymer-based processable microporous composites
- (2017) Sébastien Rochat et al. Journal of Materials Chemistry A
- Enhancement in hydrogen molecule adsorption on B 12 N 12 nano-cluster by decoration of nickel
- (2016) Ali Shokuhi Rad et al. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
- Recent progress in the synthesis of metal–organic frameworks
- (2015) Yujia Sun et al. SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS
- Fuel from Water: The Photochemical Generation of Hydrogen from Water
- (2014) Zhiji Han et al. ACCOUNTS OF CHEMICAL RESEARCH
- Defect engineering of graphene for effective hydrogen storage
- (2014) Shwetank Yadav et al. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
- Direct imaging of monovacancy-hydrogen complexes in a single graphitic layer
- (2014) Maxim Ziatdinov et al. PHYSICAL REVIEW B
- A theoretical study of ripple propagation in defective graphene
- (2013) Yanni Dong et al. CARBON
- Orientation dependence of the fracture behavior of graphene
- (2013) Young I. Jhon et al. CARBON
- Comparative Study of Defect Reactivity in Graphene
- (2013) Pablo A. Denis et al. Journal of Physical Chemistry C
- Mechanical properties of highly defective graphene: from brittle rupture to ductile fracture
- (2013) Lanqing Xu et al. NANOTECHNOLOGY
- Enhanced hydrogen sensing properties of graphene by introducing a mono-atom-vacancy
- (2013) Q. G. Jiang et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Visualization of electronic states on atomically smooth graphitic edges with different types of hydrogen termination
- (2013) Maxim Ziatdinov et al. PHYSICAL REVIEW B
- Preparation of ultrahigh surface area porous carbons templated using zeolite 13X for enhanced hydrogen storage
- (2013) Eric Masika et al. Progress in Natural Science-Materials International
- Mechanical properties of hydrogen functionalized graphene under shear deformation: A molecular dynamics study
- (2013) A. Hadizadeh Kheirkhah et al. SOLID STATE COMMUNICATIONS
- Nonlinear fracture analysis of single-layer graphene sheets
- (2012) Cengiz Baykasoglu et al. ENGINEERING FRACTURE MECHANICS
- Elastic fields and moduli in defected graphene
- (2012) Riccardo Dettori et al. JOURNAL OF PHYSICS-CONDENSED MATTER
- Prospects for hydrogen storage in graphene
- (2012) Valentina Tozzini et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Progress on first-principles-based materials design for hydrogen storage
- (2012) N. Park et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Ligament and joint sizes govern softening in nanoporous aluminum
- (2011) A. C. To et al. APPLIED PHYSICS LETTERS
- Hydrogen Storage in Metal–Organic Frameworks
- (2011) Myunghyun Paik Suh et al. CHEMICAL REVIEWS
- Effect of defects on fracture strength of graphene sheets
- (2011) M.C. Wang et al. COMPUTATIONAL MATERIALS SCIENCE
- Hydrogen Storage in Liquid Organic Hydride: Producing Hydrogen Catalytically from Methylcyclohexane
- (2011) Faisal Alhumaidan et al. ENERGY & FUELS
- Reversible Hydrogen Storage by Controlled Buckling of Graphene Layers
- (2011) Valentina Tozzini et al. Journal of Physical Chemistry C
- Role of renewable energy sources in environmental protection: A review
- (2011) N.L. Panwar et al. RENEWABLE & SUSTAINABLE ENERGY REVIEWS
- Graphene-based nanomaterials for energy storage
- (2010) Martin Pumera Energy & Environmental Science
- Hydrogen adsorption on graphene: a first principles study
- (2010) V. V. Ivanovskaya et al. EUROPEAN PHYSICAL JOURNAL B
- Novel hydrogen storage materials: A review of lightweight complex hydrides
- (2010) I.P. Jain et al. JOURNAL OF ALLOYS AND COMPOUNDS
- First-principles study of structural stability, magnetism, and hyperfine coupling in hydrogen clusters adsorbed on graphene
- (2010) Ahmad Ranjbar et al. PHYSICAL REVIEW B
- Chemical and Physical Solutions for Hydrogen Storage
- (2009) Ulrich Eberle et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Effect of vacancy defects in graphene on metal anchoring and hydrogen adsorption
- (2009) Gyubong Kim et al. APPLIED PHYSICS LETTERS
- A molecular dynamics study of the mechanical properties of hydrogen functionalized graphene
- (2009) Q.X. Pei et al. CARBON
- Biofuels securing the planet’s future energy needs
- (2009) Ayhan Demirbas ENERGY CONVERSION AND MANAGEMENT
- QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
- (2009) Paolo Giannozzi et al. JOURNAL OF PHYSICS-CONDENSED MATTER
- Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool
- (2009) Alexander Stukowski MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING
- Stone-Wales defects in graphene and other planarsp2-bonded materials
- (2009) Jie Ma et al. PHYSICAL REVIEW B
- Graphene at the Edge: Stability and Dynamics
- (2009) C. O. Girit et al. SCIENCE
- Control of Graphene's Properties by Reversible Hydrogenation: Evidence for Graphane
- (2009) D. C. Elias et al. SCIENCE
- High-capacity hydrogen storage by metallized graphene
- (2008) C. Ataca et al. APPLIED PHYSICS LETTERS
- Direct Imaging of Lattice Atoms and Topological Defects in Graphene Membranes
- (2008) Jannik C. Meyer et al. NANO LETTERS
- Free-standing graphene at atomic resolution
- (2008) Mhairi H. Gass et al. Nature Nanotechnology
- Modeling disorder in graphene
- (2008) Vitor M. Pereira et al. PHYSICAL REVIEW B
- Hydrogen on graphene: Electronic structure, total energy, structural distortions and magnetism from first-principles calculations
- (2008) D. W. Boukhvalov et al. PHYSICAL REVIEW B
Find the ideal target journal for your manuscript
Explore over 38,000 international journals covering a vast array of academic fields.
SearchAsk a Question. Answer a Question.
Quickly pose questions to the entire community. Debate answers and get clarity on the most important issues facing researchers.
Get Started