Molecular dynamics simulation of Nd3+ ions in a crystalline PEO surface

• Poly(ethylene oxide) based electrolytes are systems in which ionic salts are dissolved into an amorphous EO matrix. Potentials developed earlier to model crystalline and amorphous bulk PEO systems are here used for the MD simulation at 400 K of the behavi

Subject headings

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

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

Keyword

molecular dynamics; simulation; poly(ethylene oxide); surface

Inorganic chemistry

Oorganisk kemi

Publication and Content Type

vet (subject category)

art (subject category)