Structures and properties of small bimetallic PdnPbm(n+m≤5) clusters | Zendy

Fang Fang | Zendy; Gang Jiang | Zendy; Hongyan Wang | Zendy

AI Assistant Blog Pricing

Home ZAIA Blog

Open Access

Structures and properties of small bimetallic PdnPbm(n+m≤5) clusters

Author(s) -

Fang Fang,

Gang Jiang,

Hongyan Wang

Publication year - 2006

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.55.2241

Subject(s) - bimetallic strip , materials science , cluster (spacecraft) , computer science , metal , metallurgy , programming language

The possible geometrical and electronic structures of small bimetallic Pd-Pb clusters including Pbn(n=2,3,4,5) and PdnPbm(n+m≤5) have been optimized by density functional theory(B3LYP/LANL2DZ) method with relativistic effective core potential(RECP) using Gaussian 98 code. The shaping regularities of small bimetallic Pd-Pb clusters is analyzed based on structures and vibration spectrum. Finally, the energy level distribution, HOMO-LUMO gaps and the chemical activation are discussed.

The content you want is available to Zendy users.

Already have an account? Click here to sign in.

Having issues? You can contact us here

Accelerating Research