Article ID Journal Published Year Pages File Type
5423446 Surface Science 2012 4 Pages PDF
Abstract
► TCNE molecule prefers to adsorb on the trench between adjacent two dimer rows. ► Abundant negative charge transfers from dimer Si to TCNE after adsorption. ► Strong interaction makes it difficult to diffuse for TCNE on Si(001). ► Charge transfer has effect on the STM images. ► Two surface reconstructions are predicted at different TCNE coverage.
Keywords
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
The adsorption and reconstruction of strong electron acceptor tetracyanoethylene (TCNE) on Si(001)-(2 × 1): A density functional theory investigation
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