FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W4368351605> ?p ?o ?g. }

• W4368351605 endingPage "108103" @default.
• W4368351605 startingPage "108103" @default.
• W4368351605 abstract "The activation and dissociation of H2 molecules on Cu(001) surface is studied theoretically. The activation barrier for the dissociation of H2 on Cu(001) is determined by first-principles calculations to be ~ 0.59 eV in height. Electron transfer from the substrate Cu to H2 plays a key role in the activation, breaking of the H-H bond and the formation of the Cu-H bonds. At around the critical height of bond breaking, two stationary states are identified, which correspond respectively to the molecular and dissociative state. Using the transfer matrix method, we are able to study the role of quantum tunneling in the dissociation process along the minimum energy pathway (MEP), which is found to be significant at room temperature and below. At given temperatures, the tunneling contributions from the translational and vibrational motions of H2 are quantified for the dissociation process. Within a wide range of temperatures, the effects of quantum tunneling on the effective barriers of dissociation and the rate constants are revealed. The deduced energetic parameters associated with thermal equilibrium and non-equilibrium (molecular beam) conditions are comparable with experimental data. In the low-temperature region, crossover from classical to quantum regime is identified." @default.
• W4368351605 created "2023-05-05" @default.
• W4368351605 creator A5024845005 @default.
• W4368351605 creator A5029170581 @default.
• W4368351605 creator A5030491580 @default.
• W4368351605 date "2023-09-01" @default.
• W4368351605 modified "2023-10-05" @default.
• W4368351605 title "Activated Dissociation of H₂ on Cu(001): The Role of Quantum Tunneling" @default.
• W4368351605 cites W1965300530 @default.
• W4368351605 cites W1967048379 @default.
• W4368351605 cites W1967151553 @default.
• W4368351605 cites W1968587468 @default.
• W4368351605 cites W1970127494 @default.
• W4368351605 cites W1973029646 @default.
• W4368351605 cites W1973153759 @default.
• W4368351605 cites W1978438288 @default.
• W4368351605 cites W1979544533 @default.
• W4368351605 cites W1981368803 @default.
• W4368351605 cites W1982136386 @default.
• W4368351605 cites W1987036699 @default.
• W4368351605 cites W1993570586 @default.
• W4368351605 cites W1998330910 @default.
• W4368351605 cites W1999121777 @default.
• W4368351605 cites W1999623441 @default.
• W4368351605 cites W2003501378 @default.
• W4368351605 cites W2004183267 @default.
• W4368351605 cites W2006277617 @default.
• W4368351605 cites W2009883729 @default.
• W4368351605 cites W2016837781 @default.
• W4368351605 cites W2018909895 @default.
• W4368351605 cites W2019241546 @default.
• W4368351605 cites W2020283772 @default.
• W4368351605 cites W2021998868 @default.
• W4368351605 cites W2028056984 @default.
• W4368351605 cites W2031172926 @default.
• W4368351605 cites W2036113194 @default.
• W4368351605 cites W2040616077 @default.
• W4368351605 cites W2041091748 @default.
• W4368351605 cites W2041650488 @default.
• W4368351605 cites W2043642380 @default.
• W4368351605 cites W2044063231 @default.
• W4368351605 cites W2060055459 @default.
• W4368351605 cites W2060212108 @default.
• W4368351605 cites W2061784519 @default.
• W4368351605 cites W2065425385 @default.
• W4368351605 cites W2067557952 @default.
• W4368351605 cites W2071330627 @default.
• W4368351605 cites W2071890513 @default.
• W4368351605 cites W2077160836 @default.
• W4368351605 cites W2079105963 @default.
• W4368351605 cites W2080440865 @default.
• W4368351605 cites W2083222334 @default.
• W4368351605 cites W2085608654 @default.
• W4368351605 cites W2086612400 @default.
• W4368351605 cites W2088327956 @default.
• W4368351605 cites W2090695481 @default.
• W4368351605 cites W2091353254 @default.
• W4368351605 cites W2092220680 @default.
• W4368351605 cites W2092673013 @default.
• W4368351605 cites W2094585936 @default.
• W4368351605 cites W2102703392 @default.
• W4368351605 cites W2120713296 @default.
• W4368351605 cites W2138084649 @default.
• W4368351605 cites W2140315575 @default.
• W4368351605 cites W2141936228 @default.
• W4368351605 cites W2162637874 @default.
• W4368351605 cites W2198383220 @default.
• W4368351605 cites W2314762912 @default.
• W4368351605 cites W2315828182 @default.
• W4368351605 cites W2566438240 @default.
• W4368351605 cites W2743378700 @default.
• W4368351605 cites W2789857314 @default.
• W4368351605 cites W2944132268 @default.
• W4368351605 cites W2947499598 @default.
• W4368351605 cites W2964082920 @default.
• W4368351605 cites W2984822501 @default.
• W4368351605 cites W2995519706 @default.
• W4368351605 cites W3033086419 @default.
• W4368351605 cites W3036723969 @default.
• W4368351605 cites W3087926907 @default.
• W4368351605 cites W3106042047 @default.
• W4368351605 cites W3120583816 @default.
• W4368351605 cites W3139561730 @default.
• W4368351605 cites W4205579853 @default.
• W4368351605 cites W4223954372 @default.
• W4368351605 cites W4240024726 @default.
• W4368351605 cites W4247382714 @default.
• W4368351605 cites W4249761352 @default.
• W4368351605 cites W4303982765 @default.
• W4368351605 doi "https://doi.org/10.1088/1674-1056/acd2b3" @default.
• W4368351605 hasPublicationYear "2023" @default.
• W4368351605 type Work @default.
• W4368351605 citedByCount "0" @default.
• W4368351605 crossrefType "journal-article" @default.
• W4368351605 hasAuthorship W4368351605A5024845005 @default.
• W4368351605 hasAuthorship W4368351605A5029170581 @default.
• W4368351605 hasAuthorship W4368351605A5030491580 @default.
• W4368351605 hasBestOaLocation W43683516052 @default.

• next