• Macleod, Jennifer
• Atkinson, Lee
• Jayalatharachchi, Vishakya

Abstract

<p class="articleBody_abstractText">Recent advances in the control ofon-surface reactions have helped develop the ability to synthesize novelorganic 1D and 2D architectures. Ferrocene (C₁₀H₁₀Fe)is a molecular building block that holds particular appeal fornanoarchitectonics because of its many functional properties. Here, weshow that 1,1′-dibromoferrocene forms ordered 1D structures followingdebromination at 373 K on Ag(111). Using a combination of X-rayphotoelectron spectroscopy (XPS) and scanning tunnelling microscopy(STM), we establish that the debrominated molecules assemble into packedarrays of 1D architectures, with the lines extending along ⟨110⟩.Density functional theory (DFT) screening of candidate structures,based on Tersoff–Hamann simulated STM images, allows us to identify the1D lines as organometallic polymers comprising silver adatoms. Gas-phasespin-polarized DFT shows a single-spin contribution to the density ofstates at the Fermi level, suggesting that the lines possesshalf-metallicity. These 1D organometallic polyferrocenes may thereforebe candidates for applications in spintronics.</p>

Topics

• density
• impedance spectroscopy
• surface
• polymer
• silver
• theory
• x-ray photoelectron spectroscopy
• density functional theory
• scanning tunneling microscopy
• organometallic