MD simulations of a doped ceria surface - very large surface ion motion

• Mean-square displacements (MSDs) and individual-ion square-displacements (ISDs) for the different constituents in Ca-doped CeO2(0 1 1) slabs at 300 K have been studied as a function of depth from the surface. Constant pressure-constant temperature MD simu

Subject headings

NATURVETENSKAP  -- Kemi -- Oorganisk kemi (hsv//swe)

NATURAL SCIENCES  -- Chemical Sciences -- Inorganic Chemistry (hsv//eng)

Keyword

MOLECULAR-DYNAMICS SIMULATIONS; DIOXIDE; CRYSTAL; OXIDES

Inorganic chemistry

Oorganisk kemi

Publication and Content Type

ref (subject category)

art (subject category)