Related papers: N-functionalized Ti2C MXene as high-performance ad…
Understanding degradation processes in lithium ion batteries is essential for improving long term performance and advancing sustainable energy technologies. Tin selenide (SnSe) has emerged as a promising anode material due to the high…
When a slightly defective rutile TiO$_2$(110) surface is exposed to O$_2$ at elevated temperatures, the molecule dissociates at defects, filling O vacancies (\ov) and creating O adatoms (\oad) on {\tifc} rows. The adsorption of molecular…
Single atomic adsorbates on ultrathin insulating films provide a promising route toward bottom-up quantum architectures based on atomically identical yet individually addressable spin qubits on solid surfaces. A key challenge in engineering…
To contemplate an alternative approach for the minimization of diffusion at high temperature depositions, present findings impart viability of room-temperature deposited reactively sputtered ScN thin film samples. The adopted room…
In this study we investigated the sorption ability of Ge20Se80 thin films applied as active layers of quartz crystal microbalance (QCM) for NO2 gas sensing. To identify the chalcogenide system appropriate for gas sensing, we provided data…
We develop a theory of superconducting pairing in low-density Strontium titanate due to quadratic coupling of electron density to soft transverse optical phonons. It leads to static attractive potential between electrons which decay length…
Current advancements in battery technologies require electrodes to combine high-performance active material such as Silicon (Si) with two-dimensional materials such as transition metal carbides (MXenes) for prolonged cycle stability and…
Surface ion traps with two-dimensional layouts of trapping regions are natural architectures for storing large numbers of ions and supporting the connectivity needed to implement quantum algorithms. Many of the components and operations…
Strontium ruthenates have many similarities with copper oxide superconductors and are of particular interest for the investigation of the mechanisms and conditions which lead to high-temperature superconductivity. We report here on multiple…
The relaxation rate in Nb-doped strontium titanate involving different scattering channels is investigated theoretically. It is demonstrated that the total relaxation rate in SrTiO_{3} is provided mainly by two mechanisms. The Baber…
Motivated by experimental evidence for a mixed-valence state to occur in the neutralization of strontium ions on gold surfaces we analyze this type of charge-transferring atom-surface collision from a many-body theoretical point of view…
This study aims towards a systematic reciprocity of the tunable synthesis parameters - partial pressure of N$_2$ gas, ion energy (\Ei) and Ti interface in TiN thin film samples deposited using ion beam sputtering at ambient temperature…
The surface composition of polycrystalline niobium-doped strontium titanate (SrTiO3 : Nb) is studied using X-ray photoelectron emission microscopy (XPEEM) for many grain orientations in order to characterise the surface chemistry with high…
Transition metal oxides are considered promising thermoelectric materials for harvesting high-temperature waste heat due to their stability, abundance and low toxicity. Despite their typically strong ionic character, they can exhibit…
Using Density functional theory (DFT) in conjunction with a solvation model we have investigated the phenomenon of eletrode-electrolyte interaction at the electrode surface and its consequences on the electrochemical properties like the…
The role of charged centers in radiation-induced phenomena occurring in solid nitrogen irradiated with an electron beam was studied. The experiments were performed employing luminescence method and activation spectroscopy techniques -…
Understanding surface reactivity is crucial in many fields, going from heterogeneous catalysis to materials oxidation and corrosion. In order to decipher the surface reactions of ZrB2 exposed to the harsh environment of aerospace…
The adsorption of carbon-conjugated molecules represents an established route to tune the electronic and optical properties of transition metal dichalcogenide (TMDC) monolayers. Here, we demonstrate from first principles that such a…
In this paper, a photonic crystal containing graphene and metamaterial layers is investigated. The absorption spectrum of the structure in the terahertz range is obtained using the transfer matrix method. The results show that by adding a…
Interactions of two-dimensional MXene sheets and electron beam of (scanning) transmission electron microscope are studied via first-principles calculations. We simulated the knock-on displacement threshold for Ti$_3$C$_2$ MXene sheet via ab…