Despite their many advantages, issues remain unresolved over the variability in catalytic activities in supported gold nanoparticle (AuNP)-based catalysts, which requires precise characterization to unravel the presence of any fine features. Herein,...
The band structures of ordered and thermally disordered Li
The derivatization of graphene to engineer its band structure is a subject of significant attention nowadays, extending the frames of graphene material applications in the fields of catalysis, sensing, and energy harvesting. Yet, the accurate identif...
We perform first principle calculations based on density functional theory to investigate the effect of the adsorption of core-excited organic molecules on graphene. We simulate Near Edge X-ray absorption Fine Structure (NEXAFS) and X-ray Photoemissi...
Co0.95R0.05Fe2O4 nanoparticles with R = La, Pr, Nd, Sm, and Eu were synthesized via an environmentally friendly sol–gel method. The prepared samples were studied using X-ray diffraction measurements (XRD), transmission electron microscopy (TEM)...
Cu3+-like species and oxygen vacancies (Vₒ) in electrospun CuO nanofibers were identified by X-ray photoelectron spectroscopy (XPS) via Cu 2p3/2 and O 1s core-level spectra. Nanobeam electron diffraction (NBD) revealed a Cu3+-related superlatti...
The facile synthesis of biografted 2D derivatives complemented by a nuanced understanding of their properties are keystones for advancements in biosensing technologies. Herein, we thoroughly examine the feasibility of aminated graphene as a platform...
Atomic deuterium (D) adsorption on free-standing nanoporous graphene obtained by ultra-high vacuum D
This study employs advanced structural characterization techniques, including anomalous small-angle X-ray scattering (ASAXS), small-angle X-ray scattering (SAXS), and X-ray photoelectron spectroscopy (XPS), to investigate erbium (Er3+)-doped silica-b...
Wet impregnation is broadly applied for the synthesis of carbon-supported metal/metal oxide nanostructures because of its high flexibility, simplicity and low cost. By contrast, impregnated catalysts are typified by a usually undesired nanostructural...
Non-enzymatic electrochemical glucose sensing was obtained by gold nanostructures on graphene paper, produced by laser or thermal dewetting of 1.6 and 8 nm-thick Au layers, respectively. Nanosecond laser annealing produces spherical nanoparticles (Au...
Thin films of colloidal CZTS nanocrystals (NCs) synthesized using a “green” approach in water with a variation of the copper-to-tin ratio are investigated by Raman scattering, mid-infrared (molecular vibrations) and near-infrared (free ca...
A series of ferrocenyl-functionalized β-diketonato manganese(III) complexes, [Mn(FcCOCHCOR)3] with R = CF3, CH3, Ph (phenyl) and Fc (ferrocenyl) was subjected to a systematic XPS study of the Mn 2p3/2 and Fe 2p3/2 core-level photoelectron lines and t...
Conductive polymer composites with a segregated structure are a promising route to obtaining electrically active materials at low filler loadings. In this work, aminated graphene (AmG) was used as a functional conductive filler for the fabrication of...
Three experimental hole transport materials containing fluorine-substituted benzothiadiazole-based organic molecules (Jy5–Jy7) have been studied to explore the relationship between photoelectric performances and the core structures of hole tran...
This paper presents a new analysis of the experimental transmission spectra of polyethylene terephthalate (PET) films before and after irradiation with swift heavy ions (SHI) films, as reported previously by the authors. It is shown that the absorpti...
The potential energy curves and spectroscopic constants of the ground and several low-lying excited states of the Caq+-Kr (q = 0, 1, 2) van der Waals complexes were investigated using one- and two-electron pseudopotential approaches. This treatment e...
Polypyrrole/single wall carbon nanotube composites were synthesized by in-situ chemical polymerization using pyrrole (PPy) as precursor and single wall carbon nanotubes (SWNTs) as additive component. Electron microscope images reveal that SWNTs compo...
The progress of modern electronics largely depends on the possible emergence of previously unknown materials in electronic technology. The search for and combination of new materials with extraordinary properties used for the production of new small-...
Dislocations exhibit a number of exceptional electronic properties resulting in a significant increase of the drain current of metal-oxide-semiconductor field-effect transistors (MOSFETs) if defined numbers of these defects are placed in the channel....
Transition metal dichalcogenides (TMDC) have been considered promising electronic materials in recent years. Annealing and chemical doping are two core processes used in manufacturing electronic devices to modify properties and improve device perform...
Azulene has been attracting much attention as a charge transfer material in organic electronics due to its inherent large dipole moment and small band gap, but its application in perovskite solar cells (PSCs) is very limited. Herein, azulene was appl...
Spectral features of photoionization of various levels of C III are reported. These include characteristics of Rydberg and Seaton resonances, low and high excited levels, lifetimes, and total and partial cross sections. Calculations are performed in...
The plasticity and hardness of metals are largely dependent on how dislocation interacts with solute atoms. Here, taking bcc molybdenum (Mo) as the example, the interaction of interstitial solutes carbon (C) and oxygen (O) with screw dislocation, and...
A developed method, based on the stationary second-order Rayleigh–Schrödinger many-body perturbation theory in an irreducible tensorial form, allows us to determine the most important core–valence, core, core–core, and valence&...
Perylene diimide (PDI) is one of the most studied functional dyes due to their structural versatility and fine tuning of the materials properties. Core substituted PDIs are prominent n-type semiconductor materials that could be used as non-fullerene...
Optical imaging of cancer cells using near infrared (NIR) light is currently an active area of research, as this spectral region directly corresponds to the therapeutic window of biological tissues. Upconversion nanocrystals are photostable alternati...
Organic semiconductors are the focus of numerous studies; they are used in electronic devices. Modern research involves the production of neuromorphic organic materials, including those based on liquid crystal materials. The purpose of this work invo...
As consumer electronics and industrial control systems continue to evolve, the operating temperature range of capacitors is gradually increasing. Barium titanate-based ceramic capacitors are widely used in the field of high dielectrics, so temperatur...
A simulation of quantum dot (QD) energy levels was designed to reproduce a quantum mechanical analytic method based on perturbation theory. A Schrödinger equation describing an electron–hole pair in a QD was solved, in consideration of the...
For further understanding of water spontaneous imbibition in continental shales, the pore structure and pore-size distribution of Chang 7 shale samples were investigated by scanning electron microscope, high-pressure mercury injection, and nuclear ma...
This work covers the development of non-fullerene acceptors for use in organic photovoltaics built using the N-annulated perylene diimide dye. The classic perylene diimide dye has been extensively used to construct non-fullerene acceptors, leading to...
Investigation of the interaction of electromagnetic radiation with molecular systems provides most of the information on their structure and properties. Interpretation of experimental data is directly determined by the knowledge of the structure of e...
A comprehensive study of the molecular structure of aza-BODIPY and its derivatives, obtained by introduction of one or more substituents, was carried out. We considered the changes in the characteristics of the electronic and geometric structure of t...
Among transition metal oxides, VO2 is a particularly interesting and challenging correlated electron material where an insulator to metal transition (MIT) occurs near room temperature. Here we investigate a 16 nm thick strained vanadium dioxide film,...
Rb2KWO3F3 elpasolite was synthesized via the solid-state reaction route. The phase purity of the obtained sample was verified by the XRD analysis with Rietveld refinement in space group Fm-3m, yielding the unit cell parameter a = 8.92413 (17) Å...
The development of n-type organic semiconductor materials for transporting electrons as part of logic circuits is equally important to the development of p-type materials for transporting holes. Currently, progress in research on n-type materials is...
In spite of great application potential as transparent n-type oxides with high electrical mobility at room temperature, threading dislocations (TDs) often found in the (Ba,La)SnO3 (BLSO) films can limit their intrinsic properties so that their role i...
Nanomaterials, heralded as the “new materials of the 21st century” for their remarkable physical and chemical properties and broad application potential, have attracted substantial attention in recent years. Among these materials, which c...
The diketopyrrolopyrrole (DPP) unit represents one of the building blocks more widely employed in the field of organic electronics; in most of the reported DPP-based small molecules, this unit represents the electron acceptor core symmetrically coupl...
Controlling the uptake of nanoparticles into cells so as to balance therapeutic effects with toxicity is an essential unsolved problem in the development of nanomedicine technologies. From this point of view, it is useful to use standard nanoparticle...
The density functional theory (DFT) and time-dependent DFT (TD-DFT) methodologies have been applied to explore on a series of star-shaped π-conjugated organoboron systems for organic light-emitting diode (OLED) materials. The compounds under investig...
A redox-responsive nanocarrier is a promising strategy for the intracellular drug release because it protects the payload, prevents its undesirable leakage during extracellular transport, and favors site-specific drug delivery. In this study, we deve...
The metallic and semiconducting character of a large family of organic materials based on the electron donor molecule tetrathiafulvalene (TTF) is rooted in the partial oxidation (charge transfer or mixed valency) of TTF derivatives leading to partial...
There has been substantial progress in tissue engineering of biological substitutes for medical applications. One of the major challenges in development of complex tissues is the difficulty of creating vascular networks for engineered constructs. The...
Core-shell structures are the most common type of composite material nanostructures due to their multifunctional properties. Silver nanoparticles show broad antimicrobial activity, but the safety of their utilization still remains an issue to tackle....
The synthesis and characterization of ZnO/TiO2, SiO2/TiO2, Al2O3/TiO2, and Al1.9Co0.1O3/TiO2 core/shell nanoparticles (NPs) is reported. The NPs were used for photocatalytic degradation of brilliant blue E-4BA under UV and visible light irradiation,...
Alumina (α-Al2O3) is one of the representative high-temperature structural materials. Dislocations in alumina play an important role in its plastic deformation, and they have attracted much attention for many years. However, little is known about the...
The laser processing molybdenum metal surface method was first proposed to enhance the efficiency of multistage depressed collectors (MDCs). In this study, the secondary electron yield (SEY), surface geometrical morphologies and chemical states of la...
The insulated core transformer (ICT) power supply is widely employed in electron beam accelerators (EBAs) due to its high power, heightened efficiency, and stable operation. However, the segmented-core structure of the ICT power supply increases magn...
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