Related papers: Metal Organic interfaces at the nanoscale
The properties of Shockley-type interface states between $\pi$-conjugated organic molecular layers and metal surfaces are investigated by time-resolved two-photon photoemission experiments and density functional theory. For perylene- and…
Polymer nanocomposite dielectrics are promising materials for electrical insulation in high voltage applications. However, the physics behind their performance is not yet fully understood. We use density functional theory to investigate…
On-surface chemistry has emerged as a key technique for designing novel low-dimensional materials, enabling precise manipulation of their electronic and magnetic properties at the atomic scale. It also proves highly effective for the…
Electrical properties of contact to p-type nitride semiconductor devices, based on gallium nitride were simulated by ab initio and by drift-diffusion calculations. The contact electric properties are shown to be dominated by electron…
We propose an experimental methodology for probing the energy barrier inhomogeneity at the metal/semiconductor interface without the need for time-consuming microscopic survey. It is based on the known statistical nature of the interfacial…
Although monolayer black phosphorus (BP) or phosphorene has been successfully exfoliated and its optical properties have been explored, most of electrical performance of the devices is demonstrated on few-layer phosphorene and ultra-thin BP…
Energy and charge transfer across metal-semiconductor interfaces are the fundamental driving forces for a broad range of applications, such as computing, energy harvesting, and photodetection. However, the exact roles and physical…
We probe the local inhomogeneities of the electronic properties of graphene at the nanoscale using scanning probe microscopy techniques. First, we focus on the study of the electronic inhomogeneities caused by the graphene-substrate…
In the past decade, photoemission orbital tomography (POT) has evolved into a powerful tool to investigate the electronic structure of organic molecules adsorbed on (metallic) surfaces. By measuring the angular distribution of…
Organic spintronics has drawn the interest of the science community due to various applications in spin-valve devices. But to date, an efficient room-temperature Organic Spin Valve device has not been experimentally realized due to the…
The observed performances of carbon nanotube field effect transistors are examined using first-principles quantum transport calculations. We focus on the nature and role of the electrical contact of Au and Pd electrodes to open-ended…
Black phosphorous (BP) is is recently unveiled as a promising two-dimensional direct bandgap semiconducting material. Here, we report the ambipolar field effect transistor behavior of multilayers of BP with ferromagnetic tunnel contacts. We…
The problem of Fermi-level pinning at semiconductor-metal contacts is readdressed starting from first-principles calculations for Al/GaAs. We give quantitative evidence that the Schottky barrier height is very little affected by any…
Reverse non-equilibrium molecular dynamics (RNEMD) simulations were used to study heat transport in solvated gold interfaces which have been functionalized with a low molecular weight thiolated polyethylene glycol (PEG). The gold interfaces…
First-principles density functional calculations are performed in C-BN heterojunctions. It is shown that the magnetism of the edge states in zigzag shaped graphene strips and polarity effects in BN strips team up to give a spin asymmetric…
Graphene hybrids, made of thin insulators, graphene, and metals can support propagating acoustic plasmons (AGPs). The metal screening modifies the dispersion relation of usual graphene plasmons leading to slowly propagating plasmons, with…
The ability to create high-quality lateral p-n junctions at nanometer length scales is essential for the next generation of two-dimensional (2D) electronic and plasmonic devices. Using a charge-transfer heterostructure consisting of…
For electronic and photoelectronic devices based on GeSe, an emergent two dimensional monochalcogenide with many exciting properties predicted, good electrical contacts are of great importance for achieving high device performances and…
We present an analytical one-dimensional model potential for the description of electronic interface states that form at the interface between a metal surface and flat-lying adlayers of $\pi$-conjugated organic molecules. The model utilizes…
Understanding band alignment and charge transfer at complex oxide interfaces is critical to tailoring and utilizing their diverse functionality. Towards this goal, we design and experimentally validate both Ohmic- and Schottky-like charge…