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• W2022281004 abstract "We compare the adsorption dynamics of N(2) on the unstrained Fe(110) and on a 10% expanded Fe monolayer grown on W(110) by performing classical molecular dynamics simulations that use potential energy surfaces calculated with density functional theory. Our results allow us to understand why, experimentally, the molecular adsorption of N(2) is observed on the strained layer but not on Fe(110). Surprisingly, we also find that while surface strain favors the molecular adsorption of N(2) it seems, on the contrary, to impede the dissociative adsorption. This result contrasts with previous examples for which strain is found to modify equally the energetics of chemisorption and dissociation." @default.
• W2022281004 created "2016-06-24" @default.
• W2022281004 creator A5028152163 @default.
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• W2022281004 date "2014-08-04" @default.
• W2022281004 modified "2023-09-24" @default.
• W2022281004 title "Surface Strain Improves Molecular Adsorption but Hampers Dissociation for<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant=normal>N</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>on the<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:mi>Fe</mml:mi><mml:mo stretchy=false>/</mml:mo><mml:mi mathvariant=normal>W</mml:mi><mml:mo stretchy…" @default.
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• W2022281004 doi "https://doi.org/10.1103/physrevlett.113.066103" @default.
• W2022281004 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/25148338" @default.
• W2022281004 hasPublicationYear "2014" @default.
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