High-capacity hydrogen storage in zirconium decorated psi-graphene: acumen from density functional theory and molecular dynamics simulations

Article Chemistry, Physical

High-capacity reversible hydrogen storage in scandium decorated holey graphyne: Theoretical perspectives

Vikram Mahamiya et al.

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2022)

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Article Chemistry, Physical

Hydrogen storage in scandium decorated triazine based g-C3N4: Insights from DFT simulations

Brahmananda Chakraborty et al.

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2022)

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Article Chemistry, Physical

Graphitic carbon nitride (g-C3N4) decorated with Yttrium as potential hydrogen storage material: Acumen from quantum simulations

Pratap Mane et al.

Summary: In this study, the reversible hydrogen storage properties of Y-decorated g-C3N4 nanosheets were explored for light fuel cell vehicle applications using Density Functional Theory simulations. The study found that the Y atom can strongly bind with gCN and reversibly store and release hydrogen under suitable conditions, with a storage capacity that meets the Department of Energy's standards. Additionally, the structural stability of the system was verified.

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2022)

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Article Energy & Fuels

Enhanced reversible hydrogen storage efficiency of zirconium-decorated biphenylene monolayer: A computational study

Pratap Mane et al.

Summary: Metal decorated carbon-containing two-dimensional monolayers have open structures that improve hydrogen storage capacity. Zr-decorated biphenylene nanosheets exhibit strong hydrogen storage capability, with up to 9 hydrogen molecules per metal atom. The Zr decoration helps to prevent metal clustering and maintains stability even at high temperatures.

ENERGY STORAGE (2022)

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Review Chemistry, Physical

Photocatalytic water splitting hydrogen production via environmental benign carbon based nanomaterials

Shelly Singla et al.

Summary: This review highlights the environmentally friendly hydrogen production using carbon-based nanomaterials through photochemical and photoelectrochemical processes by water splitting. Various carbon materials like graphene, graphene oxide, carbon nanotubes, graphitic carbon nitride, and fullerenes are discussed for their photocatalytic properties and applications in hydrogen production. The advantages and shortcomings of these materials, along with their production methods and critical discussions, are covered in this article.

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2021)

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Review Chemistry, Physical

Large-scale compressed hydrogen storage as part of renewable electricity storage systems

Ahmed M. Elberry et al.

Summary: Analyzing the status and potential of compressed hydrogen storage technologies requires a techno-economic chain analysis to evaluate their feasibility; while some technologies are immature, they still show promise for development, highlighting the important role of hydrogen in balancing renewable electricity production.

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2021)

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Article Chemistry, Multidisciplinary

Hydrogen Storage in Untreated/Ammonia-Treated and Transition Metal-Decorated (Pt, Pd, Ni, Rh, Ir and Ru) Activated Carbons

Mohamed F. Aly Aboud et al.

Summary: The research focused on improving hydrogen storage performance of activated carbon through methods like ammonia treatment and metal decoration. It was found that metal decoration had different effects on hydrogen storage at different temperatures, potentially overcoming hydrogen spillover at low temperatures but having the opposite effect at room temperature.

APPLIED SCIENCES-BASEL (2021)

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Article Chemistry, Physical

Carbon nanotubes doped with Ni, Pd and Pt: A density functional theory study of adsorption and sensing NO

Selin Demir et al.

SURFACE SCIENCE (2020)

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Article Chemistry, Physical

Large-scale storage of hydrogen

Joakim Andersson et al.

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2019)

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Article Crystallography

Effect of Angle, Temperature and Vacancy Defects on Mechanical Properties of PSI-Graphene

Lu Xie et al.

CRYSTALS (2019)

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Review Chemistry, Physical

A critical review in strategies to improve photocatalytic water splitting towards hydrogen production

Nur Fajrina et al.

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2019)

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Review Energy & Fuels

Hydrogen storage in carbon materials-A review

Man Mohan et al.

ENERGY STORAGE (2019)

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Proceedings Paper Physics, Condensed Matter

Electronic Structure and Hydrogen Storage Capability of Zirconium Decorated Graphyne

Mansi Pathak et al.

62ND DAE SOLID STATE PHYSICS SYMPOSIUM (2018)

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Article Chemistry, Physical

A new method for few-layer graphene preparation via plasma-assisted ball milling

Cheng Lin et al.

JOURNAL OF ALLOYS AND COMPOUNDS (2017)

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Article Chemistry, Physical

Magnetic Moment Controlling Desorption Temperature in Hydrogen Storage: A Case of Zirconium-Doped Graphene as a High Capacity Hydrogen Storage Medium

A. Yadav et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2017)

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Article Chemistry, Physical

ψ-Graphene: A New Metallic Allotrope of Planar Carbon with Potential Applications as Anode Materials for Lithium-Ion Batteries

Xiaoyin Li et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2017)

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Review Materials Science, Multidisciplinary

Recent advances and remaining challenges of nanostructured materials for hydrogen storage applications

Xuebin Yu et al.

PROGRESS IN MATERIALS SCIENCE (2017)

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Review Green & Sustainable Science & Technology

A comparative overview of hydrogen production processes

Pavlos Nikolaidis et al.

RENEWABLE & SUSTAINABLE ENERGY REVIEWS (2017)

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Review Chemistry, Physical

A review on the current progress of metal hydrides material for solid-state hydrogen storage applications

N. A. A. Rusman et al.

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2016)

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Review Nanoscience & Nanotechnology

Review of Solid State Hydrogen Storage Methods Adopting Different Kinds of Novel Materials

Renju Zacharia et al.

JOURNAL OF NANOMATERIALS (2015)

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Article Chemistry, Physical

Hydrogen storage on nitrogen induced defects in palladium-decorated graphene: A first-principles study

Ling Ma et al.

APPLIED SURFACE SCIENCE (2014)

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Article Chemistry, Physical

Enhanced dehydriding thermodynamics and kinetics in Mg(In)-MgF2 composite directly synthesized by plasma milling

L. Z. Ouyang et al.

JOURNAL OF ALLOYS AND COMPOUNDS (2014)

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Article Chemistry, Physical

Remarkable Hydrogen Storage Capacity In Li-Decorated Graphyne: Theoretical Predication

Yanhua Guo et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2012)

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Article Chemistry, Physical

Hydrogen Storage in Yttrium-Decorated Single Walled Carbon Nanotube

Brahmananda Chakraborty et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2012)

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Article Chemistry, Multidisciplinary

Effect of Nitrogen Doping on Hydrogen Storage Capacity of Palladium Decorated Graphene

Vinayan Bhagavathi Parambhath et al.

LANGMUIR (2012)

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Article Chemistry, Physical

High Capacity Hydrogen Storage in Ca Decorated Graphyne: A First-Principles Study

Chong Li et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2011)

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Review Physics, Multidisciplinary

Challenges in hydrogen adsorptions: from physisorption to chemisorption

Feng Ding et al.

FRONTIERS OF PHYSICS (2011)

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Article Chemistry, Physical

Challenges for renewable hydrogen production from biomass

David B. Levin et al.

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2010)

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Review Chemistry, Analytical

A review on surface modification of activated carbon for carbon dioxide adsorption

Mohammad Saleh Shafeeyan et al.

JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS (2010)

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Article Chemistry, Physical

Reversible hydrogen storage of multi-wall carbon nanotubes doped with atomically dispersed lithium

Yi Wang et al.

JOURNAL OF MATERIALS CHEMISTRY (2010)

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Article Chemistry, Physical

Improved Description of the Structure of Molecular and Layered Crystals: Ab Initio DFT Calculations with van der Waals Corrections

Tomas Bucko et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2010)

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Article Chemistry, Multidisciplinary

Calcium-Decorated Graphene-Based Nanostructures for Hydrogen Storage

Hoonkyung Lee et al.

NANO LETTERS (2010)

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Review Chemistry, Inorganic & Nuclear

Transition metal and nitrogen doped carbon nanostructures

Stanislav R. Stoyanov et al.

COORDINATION CHEMISTRY REVIEWS (2009)

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Review Chemistry, Physical

Storage of hydrogen in nanostructured carbon materials

Yuda Yueruem et al.

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2009)

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Article Physics, Condensed Matter

A grid-based Bader analysis algorithm without lattice bias

W. Tang et al.

JOURNAL OF PHYSICS-CONDENSED MATTER (2009)

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Article Physics, Multidisciplinary

Calcium as the superior coating metal in functionalization of carbon fullerenes for high-capacity hydrogen storage

Mina Yoon et al.

PHYSICAL REVIEW LETTERS (2008)

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Review Chemistry, Multidisciplinary

Fundamentals of H2 binding and reactivity on transition metals underlying hydrogenase function and H2 production and storage

Gregory J. Kubas

CHEMICAL REVIEWS (2007)

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Review Chemistry, Physical

Metal hydride materials for solid hydrogen storage: A review

Billur Sakintuna et al.

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2007)

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Article Chemistry, Physical

Future hydrogen markets for large-scale hydrogen production systems

Charles W. Forsberg

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2007)

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Article Chemistry, Multidisciplinary

Semiempirical GGA-type density functional constructed with a long-range dispersion correction

Stefan Grimme

JOURNAL OF COMPUTATIONAL CHEMISTRY (2006)

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Article Chemistry, Applied

An overview of hydrogen production from biomass

M Ni et al.

FUEL PROCESSING TECHNOLOGY (2006)

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Article Physics, Multidisciplinary

Titanium-decorated carbon nanotubes as a potential high-capacity hydrogen storage medium

T Yildirim et al.

PHYSICAL REVIEW LETTERS (2005)

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Review Multidisciplinary Sciences

Hydrogen storage methods

A Züttel

NATURWISSENSCHAFTEN (2004)

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Article Chemistry, Physical

Hydrogen economy for a sustainable development: state-of-the-art and technological perspectives

M Conte et al.

JOURNAL OF POWER SOURCES (2001)

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Review Chemistry, Inorganic & Nuclear

Metal-dihydrogen and σ-bond coordination:: the consummate extension of the Dewar-Chatt-Duncanson model for metal-olefin bonding

GJ Kubas

JOURNAL OF ORGANOMETALLIC CHEMISTRY (2001)

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High-capacity hydrogen storage in zirconium decorated psi-graphene: acumen from density functional theory and molecular dynamics simulations

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