Ab initio molecular dynamics of H₂ dissociative adsorption on graphene surfaces

DOI10.3970/CMES.2011.077.113MaRDI QIDQ2964531zbMATH OpenOpenAlexFDO

Authors Kentaro Doi, Ikumi Onishi, Satoyuki Kawano

Publication date 27 February 2017

Full work available at URL http://www.techscience.com/doi/10.3970/cmes.2011.077.113.html

zbMATH Keywords

ab initio MDdissociative adsorptiongrapehenehydrogene storage

Mathematics Subject Classification ID

Statistical mechanics of nanostructures and nanoparticles (82D80)

Recommendations

• Numerical analysis of hydrogen storage in carbon nanopores
• Simulation of hydrogen adsorption in carbon nanotubes
• Analysis of hydrogen adsorption by carbon nanotube arrays
• Direct measurement of hydrogen adsorption in carbon nanotubes/nanofibers by elastic recoil detection
• Mathematical modeling and simulations on massive hydrogen yield using functionalized nanomaterials

Cited in

(6)

• Advances in computational studies of energy materials
• Calculations of free energy barriers for local mechanisms of hydrogen diffusion in alanates
• DSMC simulation of two-step dissociation-recombination of hydrogen on tantalum surface
• HYDROGEN BONDING IN DIAMOND: A COMPUTATIONAL STUDY
• Mathematical modeling and simulations on massive hydrogen yield using functionalized nanomaterials
• Самосогласованный расчет основного состояния водородоподобного атома углерода в решетке графена

This page was built for publication: Ab initio molecular dynamics of \(H_{2}\) dissociative adsorption on graphene surfaces

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q2964531)