POSSIBILITY OF FACETING TRANSFORMATION OF Mo AND W FROM (111) TO {110} INDUCED BY ULTRATHIN FILM Rh | Zendy

HUANG DAN-YUN | Zendy; Jingguang Che | Zendy; Kaiming Zhang | Zendy

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POSSIBILITY OF FACETING TRANSFORMATION OF Mo AND W FROM (111) TO {110} INDUCED BY ULTRATHIN FILM Rh

Author(s) -

HUANG DAN-YUN,

Jingguang Che,

Kaiming Zhang

Publication year - 1999

Publication title -

acta physica sinica

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.199

H-Index - 47

ISSN - 1000-3290

DOI - 10.7498/aps.48.1904

Subject(s) - faceting , facet (psychology) , materials science , monolayer , condensed matter physics , molecular physics , nanotechnology , chemistry , physics , psychology , social psychology , personality , big five personality traits

Using first principles total energy calculations,the surface energies of Mo and W before and af-ter adsorbing Rh thin films in [111] and [110] orientations are calculated.The calculation results indicate that clean (111) surfaces of both Mo and W cannot transform to {110} facets,in agreement with experimental observations.When the coverage of Rh arrives at one physical monolayer,Rh/Mo(111) still cannot facet to {110},while under a favorable energy condition for the transforma-tion,Rh/W(111) may facet to {110}.

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