Influence of the Contact Geometry and Counterions on the Current Flow and Charge Transfer in Polyoxometalate Molecular Junctions: A Density Functional Theory Study.

ABSTRACT: Polyoxometalates (POMs) are promising candidates for molecular electronic applications because (1) they are inorganic molecules, which have better CMOS compatibility compared to organic molecules; (2) they are easily synthesized in a one-pot reaction from metal oxides (MO _x ) (where the metal M can be, e.g., W, V, or Mo, and x is an integer between 4 and 7); (3) POMs can self-assemble to form various shapes and configurations, and thus the chemical synthesis can be tailored for specific device performance; and (4) they are redox-active with multiple states that have a very low voltage switching between polarized states. However, a deep understanding is required if we are to make commercial molecular devices a reality. Simulation and modeling are the most time effic

SUBMITTER: Lapham P 

PROVIDER: S-EPMC7899180 | biostudies-literature | 2021 Feb

REPOSITORIES: biostudies-literature