相关论文: Depth-Resolved Subsurface Defects in Chemically Et…
We design and analyze a Hybrid High-Order (HHO) method on unfitted meshes to approximate elliptic interface problems. The curved interface can cut through the mesh cells in a very general fashion. As in classical HHO methods, the present…
Variety of conducting heterointerfaces have been made between SrTiO3 substrates and thin capping layers of distinctly different oxide materials that can be classified into polar band insulators (e.g. LaAlO3), polar Mott insulators (e.g.…
Radiative defects in hexagonal boron nitride (hBN) are active in a broad spectral range from deep ultraviolet to near-infrared wavelengths. Representatives of these defects act as bright single photon sources, spin-1 systems, and…
The two-basis method to solve the HFB for deformed nuclei in coordinate space is examined concerning the precision of the density tail. Small cutoff energies are shown to give rise to ripples in the tail, whose wave length corresponds to…
Area-selective atomic layer deposition is a key technology for modern microelectronics as it eliminates alignment errors inherent to conventional approaches by enabling material deposition only in specific areas. Typically, the selectivity…
We report a comprehensive first-principles study of the thermodynamics and transport of intrinsic point defects in layered oxide cathode materials LiMO$_2$ (M=Co, Ni), using density-functional theory and the Heyd-Scuseria-Ernzerhof screened…
The presence of small hematite (Fe2O3) clusters at low coverage on titanium dioxide (TiO2) surface has been observed to enhance photocatalytic activity, while excess loading of hematite is detrimental. We conduct a comprehensive density…
The effect of etching time on the statistical properties of the hydrophilic surface of SiO_2/TiO_2/Glass nano bi-layer has been studied using Atomic Force Microscopy (AFM) and stochastic approach based on the level crossing analysis. We…
Motivated by recent angle-resolved photoemission spectroscopy (ARPES) observations of a highly metallic two-dimensional electron gas (2DEG) at the (001) vacuum-cleaved surface of SrTiO3 and the subsequent discussion on the possible role of…
Fast-cooling after sintering or annealing of BiFeO3-BaTiO3 mixed oxide ceramics yields core-shell structures that give excellent functional properties, but their precise phase assemblage and nanostructure remains an open question. By…
Background: Cone-beam computed tomography (CBCT) plays a crucial role in image-guided radiotherapy, but artifacts and noise make them unsuitable for accurate dose calculation. Artificial intelligence methods have shown promise in enhancing…
We investigate the etching of a pure hydrogen plasma on graphite samples and graphene flakes on SiO$_2$ and hexagonal Boron-Nitride (hBN) substrates. The pressure and distance dependence of the graphite exposure experiments reveals the…
Aims. We investigate the dominant formation mechanism of H2CO and CH3OH in the Horsehead PDR and its associated dense core. Methods. We performed deep integrations of several H2CO and CH3OH lines at two positions in the Horsehead, namely…
The nature and concentration of defects near niobium-silicon interfaces prepared with different silicon surface treatments were characterized using current-voltage (I-V), deep level transient spectroscopy (DLTS), and secondary ion mass…
Context. Mon R2 is the only ultracompact HII region (UCHII) where the associated photon-dominated region (PDR) can be resolved with Herschel. Due to its brightness and proximity, it is the best source to investigate the chemistry and…
Unlike widely explored complex oxide heterostructures grown along [001], the study of [111]-oriented heterointerfaces are very limited thus far. One of the main challenges is to overcome the polar discontinuity that hinders the epitaxy of…
We present an accelerated nudged elastic band (NEB) study of phenol direct deoxygenation (DDO) on Fe-based bimetallic surfaces using a recently developed Gaussian process regression (GPR) calculator. Our test calculations demonstrate that…
Stoichiometric, epitaxial LaCrO3 films have been grown on TiO2-terminated SrTiO3(001) substrates by molecular beam epitaxy using O2 as the oxidant. Film growth occurred in a layer-by-layer fashion, giving rise to structurally excellent…
The HFB3 program solves the axial nuclear Hartree-Fock-Bogoliubov (HFB) equations using bases formed by either one or two sets of deformed Harmonic Oscillator (HO) solutions with D1-type and D2-type Gogny effective nucleon-nucleon…
Iron oxides are among the most abundant compounds on Earth and have consequently been studied and used extensively in industrial processes. Despite these efforts, concrete understanding of some of their surface phase structures has remained…