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Strain‐Induced Formation of Subsurface Species in Transition Metals
Author(s) -
Greeley Jeff,
Krekelberg William P.,
Mavrikakis Manos
Publication year - 2004
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.200454062
Subject(s) - heteroatom , expansive , transition metal , nickel , strain (injury) , hydrogen , density functional theory , chemical physics , materials science , chemistry , crystallography , metallurgy , composite material , computational chemistry , catalysis , organic chemistry , ring (chemistry) , medicine , compressive strength
Expansive surface strain facilitates the formation of subsurface heteroatoms in transition metals. Density functional calculations show that subsurface hydrogen atoms form more rapidly, as depicted schematically in the picture, and are thermodynamically stable at much lower pressures and higher temperatures in stretched (as opposed to unstretched) nickel surfaces.