Enhancement of Electrocatalytic Oxygen Evolution by Chiral Molecular Functionalization of Hybrid 2D Electrodes

A sustainable future requires highly efficient energy conversion and storage processes, where electrocatalysis plays a crucial role. The activity of an electrocatalyst is governed by the binding energy towards the reaction intermediates, while the scaling relationships prevent the improvement of a catalytic system over its volcano-plot limits. To overcome these limitations, unconventional methods that are not fully determined by the surface binding energy can be helpful. Here, we use organic chiral molecules, i.e., hetero-helicenes, to boost the oxygen evolution reaction (OER) by ca. 131.5% (at the potential of 1.65 V vs. RHE) at state-of-the-art 2D catalysts via a spin-polarization mechanism. Our results show that chiral molecule-functionalization is able to increase the OER activity of catalysts beyond the volcano limits. A guideline for optimizing the catalytic activity via chiral molecular functionalization of hybrid 2D electrodes is given.

Surface binding energy and erosion coefficient on the nanoyttrium oxide under ionization irradiation

Using the conditions obtained from various simple and complex models, the energy of the surface area was calculated with the help of electronic structural transitions and thermo-sublimation approximations occurring in yttrium oxide nanoparticles irradiated with different energy deuterium ions. The depth of penetration of deuterium ions of different energies into the yttrium oxide sample, the rate of energy loss, and the energy of the surface area under the influence of temperature sublimation were determined using basic methods. In addition, the screening radius and erosion rate were determined using the Sigmund and Thomas–Fermi shielding function.

Enhancement of Electrocatalytic Oxygen Evolution by Chiral Molecular Functionalization of Hybrid 2D Electrodes

A sustainable future requires highly efficient energy conversion and storage processes, where electrocatalysis plays a crucial role. The activity of an electrocatalyst is governed by the binding energy towards the reaction intermediates, while the scaling relationships prevent the improvement of a catalytic system over its volcano-plot limits. To overcome these limitations, unconventional methods that are not fully determined by the surface binding energy can be helpful. Here, we use organic chiral molecules, i.e., hetero-helicenes, to boost the oxygen evolution reaction (OER) by ca. 131.5 % (at the potential of 1.65 V vs. RHE) at state-of-the-art 2D catalysts via a spin-polarization mechanism. Our results show that chiral molecule-functionalization is able to increase the OER activity of catalysts beyond the volcano limits. A guideline for optimizing the catalytic activity via chiral molecular functionalization of hybrid 2D electrodes is given.

Sputtering rate of lead, tin and germanium tellurides with low energy argon ions

Sputtering of PbTe, SnTe, and GeTe crystal samples by low-energy Ar+ ions are investigated, and the sputtering rate vsp of the studied compounds, as well as its dependence on both the composition of crystal matrix and the sputtering energy are determined. It is found that under the same conditions the sputtering rate in the sequence of GeTe-SnTe-PbTe telluride compounds increases when their average atomic weight increases. This phenomenon is explained by changes in the surface binding energy of metal atoms in lead, tin and germanium tellurides. It is shown that for all compounds the sputtering rate also increases with the increase in the sputtering energy. In the energy range from 160 to 550 eV,this increase is almost linear. The coefficients of change in the sputtering rate with energy dvsp/dE are calculated. The surface density of Ar+ ion-induced structures and the relative area of the sputtered surface covered by these structures are determined for the natural lateral surfaces of a PbTe crystal grown from melt by the Bridgman method as a function of sputtering energy. It is shown that both studied parameters decrease exponentially with increasing the sputtering energy.

Enhanced surface binding energy regulates uniform potassium deposition for stable potassium metal anodes

A SnO2-coated carbon fiber mat is fabricated and used to guide uniform K nucleation/deposition for dendrite free K metal anodes.

Bayesian Determination of Parameters for Plasma-Wall Interactions

Within a Bayesian framework we propose a non-intrusive reduced-order spectral approach (polynomial chaos expansion) to assess the uncertainty of ion-solid interaction simulations. The method not only reduces the number of function evaluations but provides simultaneously a quantitative measure for which combinations of inputs have the most important impact on the result. It is applied to the ion-solid simulation program SDTrimSP with several uncertain and Gaussian distributed input parameters, i.e., angle α , projectile energy E 0 and surface binding energy E s b . In combination with recently acquired experimental data the otherwise hardly accessible model parameter E s b can now be estimated.

Bayesian Determination of Parameters for Plasma-Wall Interactions

Within the Bayesian framework a non-intrusive uncertainty quantification is performed to assess the uncertainty of ion–solid interaction simulations. For this we employ a reduced-order spectral expansion approach which is capable of confining the number of model runs to a feasible size. Moreover, the method facilitates sensitivity examinations regarding to input parameters of the model. It is applied to the ion–solid simulation program SDTrimSP with several uncertain but normally distributed input parameters, i.e., impact angle α , projectile energy E 0 , and surface binding energy E s b . Consequently, the otherwise hardly accessible model parameter E s b can be estimated in combination with recently acquired experimental data.