FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2094239743> ?p ?o ?g. }

• W2094239743 endingPage "3786" @default.
• W2094239743 startingPage "3780" @default.
• W2094239743 abstract "We present systematic molecular dynamics simulation studies of hydrogen storage in single walled carbon nanotubes of various diameters and chiralities using a recently developed curvature-dependent force field. Our main objective is to address the following fundamental issues: 1. For a given H2 loading and nanotube type, what is the H2 distribution in the nanotube bundle? 2. For a given nanotube type, what is the maximal loading (H2 coverage)? 3. What is the diameter range and chirality for which H2 adsorption is most energetically favorable? Our simulation results suggest strong dependence of H2 adsorption energies on the nanotube diameter but less dependence on the chirality. Substantial lattice expansion upon H2 adsorption was found. The average adsorption energy increases with the lowering of nanotube diameter (higher curvature) and decreases with higher H2 loading. The calculated H2 vibrational power spectra and radial distribution functions indicate a strong attractive interaction between H2 and nanotube walls. The calculated diffusion coefficients are much higher than what has been reported for H2 in microporous materials such as zeolites, indicating that diffusivity does not present a problem for hydrogen storage in carbon nanotubes." @default.
• W2094239743 created "2016-06-24" @default.
• W2094239743 creator A5018380115 @default.
• W2094239743 creator A5046598207 @default.
• W2094239743 creator A5051516881 @default.
• W2094239743 creator A5054826233 @default.
• W2094239743 creator A5065168873 @default.
• W2094239743 creator A5091772676 @default.
• W2094239743 date "2005-02-12" @default.
• W2094239743 modified "2023-09-25" @default.
• W2094239743 title "Molecular Dynamics Simulations on the Effects of Diameter and Chirality on Hydrogen Adsorption in Single Walled Carbon Nanotubes" @default.
• W2094239743 cites W1613767143 @default.
• W2094239743 cites W1965061389 @default.
• W2094239743 cites W1968329809 @default.
• W2094239743 cites W1971271635 @default.
• W2094239743 cites W1993962238 @default.
• W2094239743 cites W1997098322 @default.
• W2094239743 cites W2004548964 @default.
• W2094239743 cites W2005944647 @default.
• W2094239743 cites W2009392824 @default.
• W2094239743 cites W2012868732 @default.
• W2094239743 cites W2017049977 @default.
• W2094239743 cites W2019481672 @default.
• W2094239743 cites W2029755533 @default.
• W2094239743 cites W2036702196 @default.
• W2094239743 cites W2038625253 @default.
• W2094239743 cites W2039833680 @default.
• W2094239743 cites W2042111371 @default.
• W2094239743 cites W2051382106 @default.
• W2094239743 cites W2062395412 @default.
• W2094239743 cites W2067588219 @default.
• W2094239743 cites W2068203450 @default.
• W2094239743 cites W2071648920 @default.
• W2094239743 cites W2083835984 @default.
• W2094239743 cites W2086965189 @default.
• W2094239743 cites W2092742201 @default.
• W2094239743 cites W2098890927 @default.
• W2094239743 cites W2099079060 @default.
• W2094239743 cites W2137042069 @default.
• W2094239743 cites W2315242781 @default.
• W2094239743 doi "https://doi.org/10.1021/jp045358m" @default.
• W2094239743 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/16851425" @default.
• W2094239743 hasPublicationYear "2005" @default.
• W2094239743 type Work @default.
• W2094239743 sameAs 2094239743 @default.
• W2094239743 citedByCount "141" @default.
• W2094239743 countsByYear W20942397432012 @default.
• W2094239743 countsByYear W20942397432013 @default.
• W2094239743 countsByYear W20942397432014 @default.
• W2094239743 countsByYear W20942397432015 @default.
• W2094239743 countsByYear W20942397432016 @default.
• W2094239743 countsByYear W20942397432017 @default.
• W2094239743 countsByYear W20942397432018 @default.
• W2094239743 countsByYear W20942397432019 @default.
• W2094239743 countsByYear W20942397432020 @default.
• W2094239743 countsByYear W20942397432021 @default.
• W2094239743 countsByYear W20942397432022 @default.
• W2094239743 countsByYear W20942397432023 @default.
• W2094239743 crossrefType "journal-article" @default.
• W2094239743 hasAuthorship W2094239743A5018380115 @default.
• W2094239743 hasAuthorship W2094239743A5046598207 @default.
• W2094239743 hasAuthorship W2094239743A5051516881 @default.
• W2094239743 hasAuthorship W2094239743A5054826233 @default.
• W2094239743 hasAuthorship W2094239743A5065168873 @default.
• W2094239743 hasAuthorship W2094239743A5091772676 @default.
• W2094239743 hasConcept C121332964 @default.
• W2094239743 hasConcept C124668440 @default.
• W2094239743 hasConcept C147597530 @default.
• W2094239743 hasConcept C147789679 @default.
• W2094239743 hasConcept C150394285 @default.
• W2094239743 hasConcept C159467904 @default.
• W2094239743 hasConcept C159985019 @default.
• W2094239743 hasConcept C171250308 @default.
• W2094239743 hasConcept C178790620 @default.
• W2094239743 hasConcept C185592680 @default.
• W2094239743 hasConcept C192271897 @default.
• W2094239743 hasConcept C192562407 @default.
• W2094239743 hasConcept C195065555 @default.
• W2094239743 hasConcept C20621625 @default.
• W2094239743 hasConcept C2524010 @default.
• W2094239743 hasConcept C2777619693 @default.
• W2094239743 hasConcept C2780026712 @default.
• W2094239743 hasConcept C33923547 @default.
• W2094239743 hasConcept C37668627 @default.
• W2094239743 hasConcept C512968161 @default.
• W2094239743 hasConcept C513720949 @default.
• W2094239743 hasConcept C52703039 @default.
• W2094239743 hasConcept C59593255 @default.
• W2094239743 hasConcept C62520636 @default.
• W2094239743 hasConcept C68044625 @default.
• W2094239743 hasConcept C7602139 @default.
• W2094239743 hasConcept C86381522 @default.
• W2094239743 hasConcept C97355855 @default.
• W2094239743 hasConceptScore W2094239743C121332964 @default.
• W2094239743 hasConceptScore W2094239743C124668440 @default.
• W2094239743 hasConceptScore W2094239743C147597530 @default.
• W2094239743 hasConceptScore W2094239743C147789679 @default.
• W2094239743 hasConceptScore W2094239743C150394285 @default.

• next