We present an ab-initio study of electron mobility and electron-phonon coupling in chemically modified graphene, considering fluorinated and hydrogenated graphene at different percentage coverage. Hexagonal boron carbon nitrogen is also investigated due the increased interest shown by the research community towards this material. In particular, the deformation potentials are computed by means of density functional theory, while the carrier mobility is obtained according to the Takagi model (S. Takagi, A. Toriumi, and H. Tango, IEEE Trans. Electron Devices 41, 2363 (1994)). We will show that graphene with a reduced degree of hydrogenation can compete, in terms of mobility, with silicon technology.

In the race towards high-performance ultra-scaled devices, two-dimensional materials offer an alternative paradigm thanks to their atomic thickness suppressing short-channel effects. It is thus urgent to study the most promising candidates in realistic configurations, and here we present detailed multiscale simulations of field-effect transistors based on arsenene and antimonene monolayers as channels. The accuracy of first-principles approaches in describing electronic properties is combined with the efficiency of tight-binding Hamiltonians based on maximally localized Wannier functions to compute the transport properties of the devices. These simulations provide for the first time estimates on the upper limits for the electron and hole mobilities in the Takagi’s approximation, including spin–orbit and multi-valley effects, and demonstrate that ultra-scaled devices in the sub-10-nm scale show a performance that is compliant with industry requirements.

We present an atomistic 3-D simulation of graphene nanoribbon field-effect transistors (GNR-FETs), based on the self consistent solution of the 3-D Poisson and Schrodinger equations with open boundary conditions within the nonequilibrium Green's function formalism and a tight-binding Hamiltonian. With respect to carbon nanotube FETs, GNR-FETs exhibit comparable performance, reduced sensitivity to the variability of channel chirality, and similar leakage problems due to band-to-band tunneling. Acceptable transistor performance requires prohibitive effective nanoribbon width of 1-2 nm and atomistic precision that could in principle be obtained with periodic etch patterns or stress patterns.

Paper is the ideal substrate for the development of flexible and environmentally sustainable ubiquitous electronic systems, which, combined with two-dimensional materials, could be exploited in many Internet-of-Things applications, ranging from wearable electronics to smart packaging. Here we report high-performance MoS₂field-effect transistors on paper fabricated with a “channel array” approach, combining the advantages of two large-area techniques: chemical vapor deposition and inkjet-printing. The first allows the pre-deposition of a pattern of MoS₂; the second, the printing of dielectric layers, contacts, and connections to complete transistors and circuits fabrication. AverageI_ON/I_OFFof 8 × 10³(up to 5 × 10⁴) and mobility of 5.5 cm²V⁻¹s⁻¹(up to 26 cm²V⁻¹s⁻¹) are obtained. Fully functional integrated circuits of digital and analog building blocks, such as logic gates and current mirrors, are demonstrated, highlighting the potential of this approach for ubiquitous electronics on paper.

We present an atomistic 3-D simulation study of the performance of graphene-nanoribbon (GNR) Schottky-barrier field-effect transistors (SBFETs) and transistors with doped reservoirs (MOSFETs) by means of the self-consistent solution of the Poisson and Schrodinger equations within the nonequilibrium Green's function (NEGF) formalism. Ideal MOSFETs show slightly better electrical performance for both digital and terahertz applications. The impact of nonidealities on device performance has been investigated, taking into account the presence of single vacancy, edge roughness, and ionized impurities along the channel. In general, MOSFETs show more robust characteristics than SBFETs. Edge roughness and single-vacancy defect largely affect the performance of both device types.