Enhancement of electron transport and bandgap opening in graphene induced by adsorbates

TL;DR

This study investigates how adsorbates affect the electronic structure and transport properties of graphene nanoribbons, revealing that adsorbates can induce a bandgap and modify conductance, with implications for graphene-based electronic devices.

Contribution

The paper provides a detailed analysis of how homogeneous and disordered adsorbates influence the bandgap opening and conductance in graphene nanoribbons, highlighting the role of coupling strength and disorder.

Findings

A transmission gap opens around the Dirac point with full adsorbate coverage.

Conductance plateaus at 2e^2/h appear near E=±γ.

Adsorbate disorder can enhance transmission at high disorder levels.

Abstract

Impurities are unavoidable during the preparation of graphene samples and play an important role in graphene's electronic properties when they are adsorbed on graphene surface. In this work, we study the electronic structures and transport properties of a two-terminal zigzag graphene nanoribbon (ZGNR) device whose scattering region is covered by various adsorbates within the framework of the tight-binding approximation, by taking into account the coupling strength $\gamma$ between adsorbates and carbon atoms, the adsorbate concentration $n_i$, and the on-site energy disorder of adsorbates. Our results indicate that when the scattering region is fully covered by homogeneous adsorbates, i.e., $n_i=1$, a transmission gap opens around the Dirac point and its width is almost proportional to $\gamma^2$. In particular, two conductance plateaus of $G=2e^2/h$ appear in the vicinity of the electron energy $E=\pm \gamma$. When the scattering region is partially covered by homogeneous adsorbates ($0<n_i<1$), the transmission gap still survives around the Dirac point even at low $n_i$, and its width is firstly increased by $n_i$ and then declined by further increasing $n_i$; whereas the conductance decreases with $n_i$ in the regime of low $n_i$ and increases with $n_i$ in the regime of high $n_i$. While in the presence of disordered adsorbates whose on-site energies are random variables characterized by the disorder degree, the transmission gap disappears at low $n_i$ and reappears at relatively high $n_i$. Furthermore, the transmission ability of the ZGNR device can be enhanced by the adsorbate disorder when the disorder degree surpasses a critical value, contrary to the localization picture that the conduction of a nanowire becomes poorer with increasing the disorder degree. The physics underlying these transport characteristics is discussed. Our results are in good agreement with experiments.