On adatomic-configuration-mediated correlation between electrotransport and electrochemical properties of graphene

Abstract

The electron-transport properties of adatom-graphene system are investigated for different (random, correlated, and ordered) spatial configurations of adatoms over different types of high symmetry sites with various adsorption heights. K adatoms in monolayer graphene are modeled by the scattering potential adapted from the independent self-consistent ab initio calculations. The results are obtained numerically using the quantum-mechanical Kubo-Greenwood formalism. A band gap may be opened only if ordered adatoms act as substitutional atoms, while there is no band gap opening for adatoms acting as interstitial atoms. The type of adsorption sites strongly affect the conductivity for random and correlated adatoms, but practically does not change the conductivity when they form ordered superstructures with equal periods. Depending on electron density and type of adsorption sites, the conductivity for correlated and ordered adatoms is found to be enhanced in dozens of times as compared to the cases of their random positions. These the correlation and ordering effects manifest weaker or stronger depending on whether adatoms act as substitutional or interstitial atoms. The conductivity approximately linearly scales with adsorption height of random or correlated adatoms, but remains practically unchanged with adequate varying of elevation of ordered adatoms. Correlations between electron transport properties and heterogeneous electron transfer kinetics through K-doped graphene and electrolyte interface are investigated as well. The ferri-/ferrocyanide redox couple is used as an electrochemical benchmark system. K adsorption of graphene electrode results to only slight suppress of the heterogeneous standard rate constant. Band gap, opening for ordered and strongly short-range scatterers, has a strong impact on the dependence of the electrode reaction rate as a function of electrode potential.

12 pages, 7 figures, 3 tables

References in corpus (24)

• Charged Impurity Scattering in Graphene
• Colloquium: The transport properties of graphene: An introduction
• Anisotropic behaviors of massless Dirac fermions in graphene under periodic potential
• Imaging and Dynamics of Light Atoms and Molecules on Graphene
• Modeling disorder in graphene
• Modeling electronic structure and transport properties of graphene with resonant scattering centers
• Monovalent impurities on graphene: midgap states and migration barriers
• Transport properties of 2D graphene containing structural defects
• Tailoring Graphene with Metals on Top
• Electronic transport in Si nanowires: Role of bulk and surface disorder
• Gold in graphene: in-plane adsorption and diffusion
• Approaching ideal graphene: The structure of hydrogen-intercalated graphene on 6H-SiC(0001)
• Direct observation of ordered configurations of hydrogen adatoms on graphene
• DFT calculation for adatom adsorption on graphene sheet as a prototype of carbon nano tube functionalization
• Effects of nitrogen-doping configurations with vacancies on conductivity in graphene
• Absence of a transport signature of spin-orbit coupling in graphene with indium adatoms
• The Stability, Energetics, and Magnetic States of Cobalt Adatoms on Graphene
• Metallic and Insulating Adsorbates on Graphene
• Sublattice ordering in a dilute ensemble of defects in graphene
• A statistical-thermodynamic analysis of stably ordered substitutional structures in graphene
• Conductivity of epitaxial and CVD graphene with correlated line defects
• Kinetics of atomic ordering in metal-doped graphene
• Effect of charged impurity correlation on transport in monolayer and bilayer graphene
• Single 3$d$ transition metal atoms on multi-layer graphene systems: electronic configurations, bonding mechanisms and role of the substrate

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