相关论文: Oxygen defects in phosphorene
The charge transport mechanism of electron via traps in amorphous SiO$_2$ has been studied. Electron transport is limited by phonon-assisted tunneling between traps. Thermal and optical trap energies $W_\mathrm{t}=1.6$ eV,…
We study phonon-mediated adsorption and desorption of an electron at dielectric surfaces with deep polarization-induced surface potentials where multi-phonon transitions are responsible for electron energy relaxation. Focusing on…
Recently fabricated two dimensional (2D) phosphorene crystal structures have demonstrated great potential in applications of electronics. Mechanical strain was demonstrated to be able to significantly modify the electronic properties of…
Boron-doped graphene was reported to be the best non-metal doped graphene electrocatalyst for the oxygen reduction reaction (ORR) working at an onset potential of 0.035 V [JACS 136 (2014) 4394]. In the present DFT study, intermediates and…
Phosphorus (III) oxide (P$_4$O$_6$) has been suggested to be a major component of the gas phase phosphorus chemistry in the atmospheres of gas giant planets and of Venus. However, P$_4$O$_6$'s proposed role is based on thermodynamic…
Using density functional tight-binding method, we studied the effect of grain boundaries on the mechanical properties and failure behavior of phosphorene. We found that the large angle tilt boundaries with a higher density of (5|7) defect…
Graphene is, in principle, a promising material for consideration as component (support, active site) of electrocatalytic materials, particularly with respect to reduction of oxygen, an electrode reaction of importance to low-temperature…
Phosphorus is an essential element for life, and the phosphorous cycle is widely believed to be a key factor limiting the extent of Earth's biosphere and its impact on remotely detectable features of Earth's atmospheric chemistry.…
Electron paramagnetic resonance (EPR) study of air-physisorbed defective carbon nano-onions evidences in favor of microwave assisted formation of weakly-bound paramagnetic complexes comprising negatively-charged O2- ions and edge carbon…
Graphene is a promising material for sensing applications because of its large specific surface area and low noise. In many applications, graphene will inevitably be in contact with oxygen since it is the second most abundant gas in the…
The trap distribution in the conjugated polymer poly(3-hexylthiophene) was investigated by fractional thermally stimulated current measurements. Two defect states with activation energies of about 50 meV and 105 meV and Gaussian energy…
Usually microscopic electrostatic field around ions is neglected when the ionization energy is concerned. The ionization energy is considered to be equal to that of a separate atom (molecule). Here the energy of the electrostatic field…
Phosphorus is a key element that plays an essential role in biological processes important for living organisms on Earth. The origin and connection of phosphorus-bearing molecules to early Solar system objects and star-forming molecular…
The emergence of oxygenic photosynthesis created a new niche with dramatic potential to transform energy flow through Earth's biosphere. However, more primitive forms of photosynthesis that fix CO2 into biomass using electrons from reduced…
Intense "blue-green" phosphorescence is commonly observed in near colourless lab-grown high-pressure high-temperature (HPHT) diamonds following optical excitation at or above the indirect bandgap. We have employed a holistic combination of…
The origin of photodamage of single cells confined in laser tweezers is determined by comparison of action spectra with these recorded for a photoinduced response of cell populations. Triplet-singlet transitions in dissolved oxygen provide…
Despite much current interest in active matter, little is known about osmosis in active systems. Using molecular dynamics simulations, we investigate how active solutes perturb osmotic steady states. We find that solute activity increases…
At high dissipation levels, vortex motion in a superconducting film has been observed to become unstable at a certain critical vortex velocity v*. At substrate temperatures substantially below Tc, the observed behavior can be accounted for…
Chemically doped graphene could support plasmon excitations up to telecommunication or even visible frequencies. Apart from that, the presence of dopant may influence electron scattering mechanisms in graphene and thus impact the plasmon…
A short overview of theoretical models for the description of the relaxation processes in metals excited by a short laser pulse is presented. The main effort is given to description of different processes which are taking place after…