The interest for properties of clusters deposited on surfaces has grown in recent years. In this framework, the Density Functional based Tight Binding (DFTB) method appears as a promising tool due to its ability to treat extended systems at the quant...
We present microscopic calculations of the low energy deposition of small sodium clusters on NaCl surface. The substrate surface is taken as inert acting on the cluster through its interface potential. The time evolution of the cluster electronic sys...
The main aim of a coal deposit model is to provide an effective basis for mine production planning. The most applied approach is related to block modeling as a reasonable global representation of the coal deposit. By selection of adequate block size,...
The combination of magnetic and semiconducting properties in one material system has great potential for integration of emerging spintronics with conventional semiconductor technology. One standard route for the synthesis of magnetic semiconductors i...
Catalytic systems based on sub-nanoclusters deposited over different supports are promising for very relevant chemical transformations such as many electrocatalytic processes as the ORR. These systems have been demonstrated to be very fluxional, as t...
Nanocomposite systems and nanoparticle (NP) films are crucial for many applications and research fields. The structure-properties correlation raises complex questions due to the collective structure of these systems, often granular and porous, a cruc...
The Hucunnan porphyry- and skarn-type Cu–Mo deposit is located in the south of the central Shizishan ore field of the Tongling ore-cluster region. The intrusive Hucunnan granodiorite, outcropping in this deposit, has adakitic geochemical featur...
The giant Changba-Lijiagou (Ch-L) Pb-Zn deposit is in the northeast part of the Xicheng ore cluster, Western Qinling Orogen. The ore genesis remains controversial; it could be either a sedimentary exhalative genetic type or an epigenetic hydrothermal...
Scanning tunneling microscope results showed that Au and Fe atoms were steamed on the Si (111)-(7 × 7) substrate surface, with or without the step region. The experimental comparison proved that the induced effect of the step region is a controllable...
This study employs density functional theory and quantum chemical calculations to investigate the gas-phase nucleation and growth mechanisms during chemical vapor deposition of silicon carbide. Based on thermodynamic stability evaluations of large cl...
Thin and transparent Mo6 cluster films with significant optical properties were prepared on indium tin oxide (ITO)-coated glass plates from the suspension of Cs2Mo6Br14 cluster precursors dispersed in methyl-ethyl-ketone (MEK) by an electrophoretic d...
Urban clusters face escalating atmospheric challenges, with elevated PM2.5 concentrations representing a critical environmental constraint. This study investigates spatiotemporal evolution mechanisms of PM2.5 within China’s Taiyuan-Yuci-Xinzhou...
The Guodian Fe deposit is representative of the newly discovered Qihe–Yucheng high-grade Fe skarn ore cluster, Luxi Block, eastern North China Craton (NCC). The age of the Pandian Fe deposit remains elusive, which hinders the understanding of i...
In this study, we applied cluster beam deposition (CBD) as a new approach for fabricating efficient plasmon-based photocatalytic materials. Au nanoclusters (AuNCs) produced in the gas phase were deposited on TiO2 P25-coated silicon wafers with covera...
This research is focused on cellulose and starch derivatives, carboxymethyl cellulose (CMC) and carboxymethyl starch (CMS), added to the detergent in washing reference cotton fabric in soft and hard water at 40, 60 and 90 °C. The applied polymers wer...
Geometallurgy integrates aspects of geology, metallurgy, and mine planning in order to improve decision making in mining schedules. A geometallurgical model is a 3D space that is typically synthesized from early-stage small-scale samples and is compo...
As challenges in precious and base metal exploration intensify due to the diminishing availability of high-grade ore deposits, rising demand, energy costs, and stricter regulations towards net-zero carbon activities, advanced techniques to enhance ex...
In this work, we investigated the magnetic and structural properties of isolated Mn5Ge3 nanoparticles prepared by the cluster-beam deposition technique. Particles with sizes between 7.2 and 12.6 nm were produced by varying the argon pressure and powe...
Developing smart, environmentally friendly, and effective antibacterial surfaces is fundamental to contrast the diffusion of human infections and diseases for applications in the biomedical and food packaging sectors. To this purpose, here we combine...
Nanostructured metal assemblies on thin and ultrathin polymeric films enable state of the art technologies and have further potential in diverse fields. Rational design of the structure–function relationship is of critical importance but aggravated b...
The structural and magnetic properties of Co2Ge nanoparticles (NPs) prepared by the cluster-beam deposition (CBD) technique have been investigated. As-made particles with an average size of 5.5 nm exhibit a mixture of hexagonal and orthorhombic cryst...
Alkaline carbonatite complexes are formed by magmatic, hydrothermal, and weathering geological events, which modify the minerals present in the rocks, resulting in ores with varied metallurgical behavior. To better spatially distinguish ores with dis...
The study of novel materials for H2 storage is essential to consolidate the hydrogen as a clean energy source. In this sense, the H2 adsorption on Pd4-nNin (n = 0–3) clusters embedded on pyridinic-type N-doped graphene (PNG) was investigated us...
Supersonic jets of metal vapors with carrier gas are promising for producing nanostructured metal films at relatively low source temperatures and high deposition rates. However, the effects of the carrier gas on the jet composition and expansion dyna...
Graphene with defects is a vital support material since it improves the catalytic activity and stability of nanoparticles. Here, a density functional theory study was conducted to investigate the stability, energy, and reactivity properties of NinPdn...
Bismuth compounds are of growing interest with regard to potential applications in catalysis, medicine, and electronics, for which their environmentally benign nature is one of the key factors. One thing that currently hampers the further development...
During the process of cold spraying, the motion behavior and the arrangement of clusters, before impacting the substrate, have great influences on the coating/substrate bonding strength and the coating morphologies. In this work, the scattering and s...
Co-condensation of mixed SiGe nanoclusters and impingement of SiGe nanoclusters on a Si substrate were applied using molecular dynamics (MD) simulation in this study to mimic the fast epitaxial growth of SiGe/Si heterostructures under mesoplasma chem...
The purpose of this study is to investigate the effects of toolpath patterns, geometry types, and layering effects on the mechanical properties of parts manufactured by direct energy deposition (DED) additive manufacturing using data analysis and mac...
The large Dongtangzi Zn-Pb deposit is located in the southwest of the Fengxian–Taibai (abbreviated as Fengtai) ore cluster in the west Qinling orogen. The origin of the deposit is controversial, positing diverse genesis mechanisms such as sedim...
A laser ablation–inductively coupled plasma–mass spectrometry (LA–ICP–MS) based method is proposed for the quantitative determination of the spatial distribution of metal nanoparticles (NPs) supported on planar substrates. The surface is sampled usin...
This work presents a new ultra-high vacuum cluster tool to perform systematic studies of the early growth stages of atomic layer deposited (ALD) ultrathin films following a surface science approach. By combining operando (spectroscopic ellipsometry a...
Excessive fossil burning causes energy shortages and contributes to the environmental crisis. Light-driven thermocatalytic CO2 reduction by methane (CRM) provides an effective strategy to conquer these two global challenges. Ni-based catalysts have b...
The interest for biodegradable electronic devices is rapidly increasing for application in the field of wearable electronics, precision agriculture, biomedicine, and environmental monitoring. Energy storage devices integrated on polymeric substrates...
Persistent organic pollutants (POPs) are globally distributed toxic contaminants. Since 1990, mosses have been used in the UNECE European Moss Survey as cost-effective biomonitors of atmospheric deposition. This study provides the first predictive ma...
The detection of particles with uncompensated charge and the determination of the features of their interaction during the formation of nanocrystals on substrates with a developed surface are an interesting area of research. The porous surface formed...
Fused deposition modelling (FDM) is well-known as an inexpensive and the most commonly used additive manufacturing process. In FDM, build orientation is one of the critical factors that affect the quality of the printed part. However, the activity of...
In recent years, the most advanced pioneering techniques in the computing field have found application in assorted areas. Deep learning approaches, including artificial neural networks (ANNs), have become popular thanks to their ability to draw infer...
Background/Objectives: Magnetic drug targeting (MDT) using polyethene glycol (PEG)-coated magnetoresponsive nanoclusters (MNCs) can localize therapeutics, but washout from high-shear arterial flow limits efficacy. This study assesses how PEG molecula...
The Apuseni-Banat-Timok-Srednogorie Metallogenic Belt is one of the most important polymetallic metallogenic belts in the western segment of the Tethys, where numerous porphyry-type, skarn-type, and epithermal deposits are developed. However, scholar...
Background and Objective: Information about the type of kidney stones is important for informed therapeutic decisions and the prevention of urolithiasis. Urinary stones are heterogeneous, and their elemental composition and crystal structure vary bet...
In this article, we investigated the influence of molecular weight (Mw) on particle deposition efficiency after PEG-functionalized (polyethylene glycol-PEG) magnetoresponsive magnetic cluster targeting. In this work, the clusters were obtained by the...
Molecular silicon clusters with unsubstituted silicon vertices (siliconoids) have received attention as unsaturated silicon clusters and potential intermediates in the gas-phase deposition of elemental silicon. Investigation of behaviors of the silic...
The study of particle deposition in bends is always a continuous challenge in various engineering and industrial applications. New types of channels with special microstructures on the surfaces can be effective in modifying the flow field structure a...
Alluvial placer gold deposits that accumulate in streams across the globe are essentially allochthonous sedimentary deposits that are transported from their source to their location of deposition. The purpose of this study was to find placer gold dep...
In this paper, a series of iron thin films were prepared using the direct current magnetron sputtering method at different deposition times. By means of characterization techniques such as X-ray diffraction (XRD), transmission electron microscopy (TE...
We compare the capabilities of rapid highly charged projectiles and intense femtosecond lasers to ionize simple metal clusters while leaving as little intrinsic excitation as possible in the residue. We show that both excitation mechanisms are able t...
A density functional theory (DFT) investigation was conducted to study the O2 and CO2 adsorption on very small Pd3−nNin (n = 0–2) clusters supported on N-doped graphene quantum dots (N-GQDs). The study was carried out in two stages. First...
Cluster ion beams have unique features in energy deposition, but their biological effects are yet to be examined. In this study, we employed bacterial spores as a model organism, established an irradiation method, and examined the lethal effect of 2...
The remnants of explosive volcanism on Mercury have been observed in the form of vents and pyroclastic deposits, termed faculae, using data from the Mercury Atmospheric and Surface Composition Spectrometer (MASCS) onboard the Mercury surface, space e...
of 17