Related papers: Phononic and electronic features of diamond nanowi…
Surface electronic properties of undoped hydrogen terminated diamond covered with adsorbates or in electrolyte solutions are summarized. The formation of a conductive layer at the surface of diamond is discussed based on Hall effect,…
Ultra-wide bandgap and the absence of shallow dopants are the major challenges in realizing diamond based electronics. However, the surface functionalization offers an excellent alternative to tune electronic structure of diamonds. Herein,…
Two novel properties, unique for semiconductors: a negative electron affinity [1-2], and a high p-type surface electrical conductivity [3-4], were discovered in diamond at the end of the last century. Both properties appear when the diamond…
The electronic properties of chemically functionalized nanodiamonds are studied using density functional theory calculations. HOMO-LUMO gap and relative stabilities are calculated for different surface functionalization schemes and diamond…
Band gap modification for small-diameter (1 nm) silicon nanowires resulting from the use of different species for surface termination is investigated by density functional theory calculations. Because of quantum confinement, small-diameter…
In this work we have employed density-functional theory with hybrid functionals to investigate the atomic and electronic structure of bare and hydrogenated Mn doped ZnO nanowires with small diameter. We determine changes in magnetic and…
Nanodiamonds (NDs) gained increasing attention in multiple research areas due to the possibility of tuning their physical and chemical features by functionalizing their surface. This has a crucial impact on their electrical properties,…
In recent years, various forms of nanocrystalline diamond (NCD) have emerged as an attractive group of diamond/graphite mixed-phase materials for a range of applications from electron emission sources to electrodes for neural interfacing.…
The phonon thermal conductivity in diamond nanowires (DNW) is studied by molecular dynamics simulation. It is found that the thermal conductivity in narrower DNW is lower and does not show obvious temperature dependence; a very small value…
The atomic structure and physical properties of few-layered <111> oriented diamond nanocrystals (diamanes), covered by hydrogen atoms from both sides are studied using electronic band structure calculations. It was shown that energy…
Hydrogenated nanodiamonds may show a "transmission window" in infra-red spectra in the vicinity of diamond Raman frequency. This phenomenon is a manifestation of resonance coupling of incident photons with continuum states (Fano resonance).…
Electronic structure properties of nanowires (NW) with diameters of 1.5 nm and 3 nm based on semimetallic $\alpha$-Sn are investigated by employing density functional theory and perturbative $GW$ methods. We explore the dependence of…
Nanoscale confinement of molecules in a fluid can result in enhanced viscosity, local fluidic order, or collective motion. Confinement also affects ion transport and/or the rate and equilibrium concentration in a chemical reaction, all of…
Nitrogen vacancy centers (NV) in proximity to diamond surfaces are promising nanoscale quantum sensors. However, their coherence properties are negatively affected by magnetic and electric surface noise, whose origin and detailed impact…
Undoped diamond, a remarkable bulk electrical insulator, exhibits a high surface conductivity in air when the surface is hydrogen-terminated. Although theoretical models have claimed that a two-dimensional hole gas is established as a…
Structures and electronic properties of rhombohedral [111] and [110] bismuth nanowires are calculated with the use of density functional theory. The formation of an energy band gap from quantum confinement is studied and to improve…
We investigate the effects of electron and acoustic-phonon confinement on the low-field electron mobility of thin square silicon nanowires (SiNWs) that are surrounded by SiO$_2$ and gated. We employ a self-consistent…
The p-type surface conductivity of H-terminated diamond (HD, H-diamond) has created new path ways for developing diamond based electronic devices as well as chemical and bio-sensors. However, the hydrophobic nature of the HD surface can…
Diamondoids are a unique form of carbon nanostructure best described as hydrogen-terminated diamond molecules. Their diamond-cage structures and tetrahedral sp3 hybrid bonding create new possibilities for tuning electronic band gaps,…
We investigate the effect of surface termination on the charge state of nitrogen vacancy centers, which have been ion-implanted few nanometers below the surface of diamond. We find that, when changing the surface termination from oxygen to…