Using first principles calculations based on density functional theory, we study the impact of hole doping on the magnetic and electronic properties of two dimensional PtS2. Although 2D PtS2 is intrinsically non-magnetic, ...

One of the most-important tools in modern science is the analysis of electromagnetic properties by spectroscopy. The various types of spectroscopy can be classified by the underlying type of interactions between energy and ...

Chalcopyrite (CuFeS2) is the primary ore mineral for copper, but leaching of this mineral under atmospheric conditions is slow due to the formation of surface passivating phases such as elemental sulphur and jarosite. Here, ...

This paper deals with a homogeneous Neumann problem of a nonlinear diffusion system involving variable exponents dependent on spatial and time variables and cross-diffusion terms. We prove the existence of weak solutions ...

The silicon vacancy (VSi) in 4H-SiC is a room temperature single-photon emitter with a controllable high-spin ground state and is a promising candidate for future quantum technologies. However, controlled defect formation ...

Lanthanum doped strontium titanate is a potential n-type thermoelectric material at moderate and high temperatures. (La0.12Sr0.88)0.95TiO3 ceramics were prepared by two different routes, conventional sintering at 1500 °C ...

Hydrogen (H) is thought to be strongly involved in the light and elevated temperature-induced degradation observed predominantly in p-type silicon wafers, but the nature of the defect or defects involved in this process ...

Centrality, which quantifies the importance of individual nodes, is among the most essential concepts in modern network theory. As there are many ways in which a node can be important, many different centrality measures ...

We investigate the migration mechanism of the carbon vacancy (VC) in silicon carbide (SiC) using a combination of theoretical and experimental methodologies. The VC, commonly present even in state-of-the-art epitaxial SiC ...

Reliable single-photon emission is crucial for realizing efficient spin-photon entanglement and scalable quantum information systems. The silicon vacancy (VSi) in 4H-SiC is a promising single-photon emitter exhibiting ...

This paper reviews the geometrical and mechanical evolution of selected groups of kinematic indicators that are frequently used for inferring large-scale geodynamics but are prone to ambiguous shear sense interpretations: ...

To examine the impact of preexisting weaknesses on fracture coalescence during volcanic edifice deformation, we triaxially compressed Mount Etna basalt while acquiring in situ dynamic X‐ray microtomograms and calculated ...

Direct evidence of the formation of nitrogen molecules (N2) after ion implantion of ZnO has been revealed by an atomically resolved scanning transmission electron microscopy (STEM)–electron energy-loss spectroscopy (EELS) ...

We have investigated how layered structures of TiO2 and Eu2O3 on the subnanometer scale control the optical absorption, energy transfer, emission and quenching mechanisms in sensitized lanthanide luminescence systems. By ...

The current study extends the insight into solid-state diffusion in alloys of the Platinum Group Metals (PGMs). Thereby, we pave the way for tailor making surface compositions of binary platinum (Pt) – rhodium (Rh) model ...

Owing to fully occupied orbitals, noble gases are considered to be chemically inert and to have limited effect on materials properties under standard conditions. However, using first-principles calculations, we demonstrate ...

We investigate the evolving distribution of strain produced by a sliding fault within intact crystalline rock, and the energetics of deformation that occur both on- and off-fault. We slid precut faults of differing roughness ...

This contribution clarifies the overoxidation-preventing key step in the methane-to-methanol (MTM) conversion over copper mordenite zeolites. We followed the methane-to-methanol conversion over copper mordenite zeolites ...

Zn substitutional lithium ( Li Zn ) and sodium ( Na Zn ) acceptors and their complexes with common donor impurities ( Al Zn , Hi, and HO) in ZnO have been studied using hybrid functional calculations. The results show ...

Mixed oxide hydride anion systems constitute a novel class of materials exhibiting intriguing properties such as solid-state hydride ion conduction and fast anion exchange. In this contribution we derive the kinetics of ...

Last year, we reported a perturbative theory of the Casimir-Lifshitz torque between planar biaxially anisotropic materials in the retarded limit [Thiyam et al., Phys. Rev. Lett. 120, 131601 (2018)], which is applied here ...

We characterize and monitor subsidence of the Bursa Plain (southern Marmara region of Turkey), which has been interpreted as resulting from tectonic motions in the region. We quantify the subsidence using Interferometric ...

We use first-principle calculations based on hybrid functional and the Bethe-Salpeter equation method to investigate the electronic and optical properties of dichalcogenide TlGaTe2. Based on theoretical studies, TlGaTe2 ...

In a solid-liquid dual-phase CO2 separation membrane, the native ions in the molten alkali carbonate, including carbonate anions and metal cations can transport CO2 in a process that is charge-compensated by electronic ...

A solid-state photoelectrochemical (SSPEC) cell is an attractive approach for solar water splitting, especially when it comes to monolithic device design. In a SSPEC cell the electrodes distance is minimized, while the use ...

The mechanisms triggering intermediate and deep earthquakes have puzzled geologists for several decades. There is still no consensus concerning whether such earthquakes are triggered by brittle or ductile mechanisms. We ...

To constrain the impact of preexisting mechanical weaknesses on strain localization culminating in macroscopic shear failure, we simulate triaxial compression of layered sedimentary rock using three-dimensional discrete ...

The carbonation of ultramafic rocks is a common alteration process in ophiolites and can occur in various settings. We provide the first detailed description of the carbonated peridotites (ophicarbonates) of the Feragen ...

The increased transport of terrestrially derived organic material (tOM) from catchments to rivers and lakes is leading to browning of northern freshwaters.(1) Although the same environmental drivers can be expected to lead ...

Predictions of the anisotropic coefficients of thermal expansion are needed to not only compare to experimental measurement, but also as input for macroscopic modeling of devices which operate over a large temperature ...

In this work, Co-based cocatalysts are electrodeposited on mesoporous Ta3N5 nanotubes. The electrodeposition time is varied and the optimized photoelectrode reaches a photocurrent density of 6.3 mA/cm2 at 1.23 V vs. SHE, ...

Reaction-infiltration instability refers to the morphological instability of a reactive fluid front flowing in a soluble porous medium. This process is important for many naturally occurring phenomena, such as the weathering ...

Rab proteins are master regulators of intracellular membrane trafficking, but they also contribute to cell division, signaling, polarization, and migration. The majority of the works describing the mechanisms used by Rab ...

We present a study of the surface effects and optical properties of the self-assembled nanostructures comprised of vertically aligned 5 nm-diameter Al nanowires embedded in an amorphous Si matrix (a-Si:Al). The controlled ...

Sodium and oxygen are prevalent impurities in kesterite solar cells. Both elements are known to strongly impact performance of the kesterite devices and can be connected to efficiency improvements seen after heat treatments. ...

Tabular intrusions are common features in the Earth's brittle crust. They exhibit a broad variety of shapes, ranging from thin sheet intrusions (sills, saucer-shaped sills, cone sheets), to more massive intrusions (domed ...

We study the effects of connectivity enhancement due to film flow phenomena on the drainage of an artificial porous medium and the relative influence of gravity for such effects. The medium is initially fully saturated ...

The Ruddlesden-Popper phase LaSr3Fe3O10 and its reduced derivatives with nominal composition LaSr3Fe3O10–x, with 0 < x < 1.21, are described in detail with respect to crystal structure, magnetic order, thermal stability ...

Field and seismic observations show that numerous sills exhibit lobate morphologies. Each lobe corresponds to a distinct igneous segment exhibiting a finger-like shape, the long axis of which is commonly interpreted as a ...

Nanoporous and nanowire structures based on silicon (Si) have a well recognized potential in a number of applications such as photovoltaics, energy storage and thermoelectricity. The immiscibility of Si and aluminum (Al) ...

Nickelates, just like their isoelectronic cousins (the cuprate superconductors), are candidates for high temperature superconductivity. As charge density waves (CDW) and superconductivity might share a similar microscopic ...

We introduce a shear experiment that quantitatively reproduces the main laws of seismicity. By continuously and slowly shearing a compressed monolayer of disks in a ringlike geometry, our system delivers events of frictional ...

We present an analytical solution based on the series expansion of Papkovich-Boussinesq's displacement potentials to derive the elastic solution of a spherical inclusion containing an eigenstrain or pressurized cavity in ...

With the demand of aggressive scaling in nanoelectronics, further progress can be realized by integration of high mobility semiconductors, such as III–V compound semiconductors, with complementary metal‐oxide‐semiconductor ...

Gene expression profiling of tumours is an important source of information for cancer patient stratification. Detecting subtle alterations of gene expression remains a challenge, however. Here, we propose a novel tool for ...

Dispersion forces such as van der Waals forces between two microscopic particles, the Casimir-Polder forces between a particle and a macroscopic object, or the Casimir force between two dielectric objects are well studied ...

First-principles calculations have become a powerful tool to exclude the Edisonian approach in search of novel two-dimensional (2D) materials. However, no universal first-principles criteria to examine the realizability ...

Fluid-induced alteration of rocks and mineral-based materials often starts at confined mineral interfaces where nm-thick water films can persist even at high overburden pressures and at low vapor pressures. These films ...

When a rigid rough solid slides on a rigid rough surface, it experiences a random motion in the direction normal to the average contact plane. Here, through simulations of the separation at single-point contact between ...

Ge-on-Si and Ge-on-insulator (GeOI) are the most promising materials for the next-generation nanoelectronics that can be fully integrated with silicon technology. To this day, the fabrication of Ge-based transistors with ...

Small non-coding RNAs have gained substantial attention due to their roles in animal development and human disorders. Among them, microRNAs are special because individual gene sequences are conserved across the animal ...

The thermoelectric properties of 54 different group 4 half-Heusler (HH) alloys have been studied from first principles. Electronic transport was studied with density functional theory using hybrid functionals facilitated ...

Ion implantation is an important technique in semiconductor processing and has become a key technology for 4H-SiC devices. Today, aluminum (Al) implantations are routinely used for p-type contacts, p+-emitters, terminations ...

Elasto-plastic fracture toughness tests of a commercially pure iron were performed in air and in hydrogen gas at two different pressures. Some unique characteristics of hydrogen-enhanced cracking were exhibited at both the ...

Grain size reduction due to cataclasis is a key process controlling fault frictional properties during the seismiccycle. We investigated the role of cleavage planes on fracturing and microstructural evolution during ...

Centuries of work have highlighted the importance of several characteristics on fracture propagation. However, the relative importance of each characteristic on the likelihood of propagation remains elusive. We rank this ...

Understanding fluid flow in rocks is crucial to quantify many natural processes such as ground water flow and naturally triggered seismicity, as well as engineering questions such as displacement of contaminants, the ...

The impact of hydrogen in ZnO is revealed by combining reaction dynamics calculations with temperature dependent Hall (TDH), photoluminescence, and secondary ion mass spectrometry measurements performed on H, 2H, and He ...

The first known interstellar object 'Oumuamua exhibited a nongravitational acceleration that appeared inconsistent with cometary outgassing, leaving radiation pressure as the most likely force. Barring the alien lightsail ...

Ion implantation is a commonly used process step in 4H-SiC device manufacturing to implement precise concentrations of dopant atoms in selected areas and depths. This paper reports on vanadium (V) implantation into ...

Bimetallic nanocatalysts are key enablers of current chemical technologies, including car exhaust converters and fuel cells, and play a crucial role in industry to promote a wide range of chemical reactions. However, owing ...

Earthquakes in the continental crust commonly occur in the upper 15 to 20 km. Recent studies demonstrate that earthquakes also occur in the lower crust of collision zones and play a key role in metamorphic processes that ...

Deducing relations between the dynamic characteristics of landslides and rockfalls and the resultant high‐frequency (>1 Hz) seismic signal is challenging. To investigate relations that can be tested in the field, we conducted ...

Cuprous oxide (Cu2O) is a p-type semiconductor with high optical absorption and a direct bandgap of about 2.1 eV, making it an attractive material for photovoltaic applications. For a high-performance photovoltaic device, ...

A series of zeolite ZSM-23 samples prepared with different organic structure-directing agents, gave rise to crystalline phases, which show a large variety of particle dimensions. A detailed analysis of the structure of ...

Ga2O3 is a deep-UV transparent semiconducting oxide being interesting for solar-blind photo detectors e.g. for flame or missile plume detection. The bandgap of about 4.9 eV can be increased by alloying with Al2O3. We have ...

Nanograins (≪1 μm) are common in the principal slip zones of natural and experimental faults, but their formation and influence on fault mechanical behavior are poorly understood. We performed transmission Kikuchi diffraction ...

Importance The reproductive safety of benzodiazepine/z-hypnotic exposure on child longer-term developmental risks remains unresolved. Objective To quantify the association of motor, communication, and attention-defi ...

In nature and experiments, a large variety of rupture speeds and front modes along frictional interfaces are observed. Here, we introduce a minimal model for the rupture of homogeneously loaded interfaces with velocity ...

Magma intrusions grow to their final geometries by deforming the Earth's crust internally and by displacing the Earth's surface. Interpreting the related displacements in terms of intrusion geometry is key to forecasting ...

Shallow aseismic creep is a key deformation component along plate boundaries that contributes to the energy budget during the seismic cycle. Several major active continental faults show spatial alternation of creeping and ...

Mineral inclusions are common and have been widely used to investigate complex geological history. When a rock undergoes cooling and decompression after the entrapment of an inclusion into a host mineral, residual pressure ...

Magnesium carbonate production at the industrial scale is a realistic option to reduce the industrial emissions of CO2. Ultrabasic rocks and/or alkaline mine waste provide magnesium sources and are widely available in the ...

Understanding the approach to faulting in continental rocks is critical for identifying processes leading to fracturing in geomaterials and the preparation process of large earthquakes. In situ dynamic X-ray imaging and ...

Rock failure accommodating the emplacement of magmatic intrusions is controlled by the local stress regime within the host rock. Most of the mechanical models addressing rock failure conditions (e.g., for a given tectonic ...

Understanding failure and strain localization in porous rock is of fundamental importance in rock physics. Confined compaction experiments on porous rocks have revealed a broad spectrum of failure modes. Techniques such ...

We review and extend a hierarchy of relaxation models for two-phase flow. The models are derived from the non-equilibrium Baer–Nunziato model, which is endowed with relaxation source terms to drive it towards equilibrium. ...

Understanding the ability of the lower crust to support transient changes in stresses and strain rates during the earthquake cycle requires a detailed investigation of the deformation mechanisms and rheology of deep crustal ...

Peritoneal malignant mesothelioma is a rare disease with a generally poor prognosis and poor response to chemotherapy. To improve survival there is a need for increased molecular understanding of the disease, including ...

In recent years, the scientific community has shown an increasing interest in regards to the investigation of novel materials for the intercalation of lithium atoms, suitable for application as cathodes in the new generations ...

Advances in triaxial compression deformation apparatus design, dynamic X-ray microtomography imaging, data analysis techniques, and digital volume correlation analysis provide unparalleled access to the in situ four-dimensional ...

Ta3N5 nanotubes (NTs) were obtained from nitridation of Ta2O5 NTs, which were grown directly on Ta foil through a 2-step anodization procedure. With Co(OH)x decoration, a photocurrent density as high as 2.3 mA cm−2 (1.23 ...

The incomplete understanding of glacier dynamics is a major source of uncertainty in assessments of sea-level rise from land-based ice. Through increased ice discharge into the oceans, accelerating glacier flow has the ...

Plain Language Summary Observations have shown that the duration of earthquakes is related to the seismic moment through a power law. The power law exponent is different for regular earthquakes and slow aseismic rupture, ...

The dynamic evolution of fault zones at the seismogenic brittle–ductile transition zone (BDTZ) expresses the delicate interplay between numerous physical and chemical processes. Deformation and fluid flow at the BDTZ are ...

The partial vibrational density of states (pVDOS) of ice Ih, as simulated by first principle modeling based on density functional theory (DFT), is utilized for computing the Cartesian components of the proton and oxygen ...

We have constructed thin films of organic–inorganic hybrid character by combining titanium tetra-isopropoxide (TTIP) and the nucleobases thymine, uracil or adenine using the molecular layer deposition (MLD) approach. Such ...

Calcium carbonate cements have emerged in the last few years as an attractive candidate for biomedical applications. They can be easily prepared by mixing water with two metastable calcium carbonate phases––amorphous calcium ...

The cubic Ba0.5La0.5CoO3‐δ was synthesized using solid state reaction. The structural properties were determined by the simultaneous refinement of Synchrotron Powder X‐ray Diffraction and Neutron Powder Diffraction data. ...

When exposed to steam, zeolite catalysts are irreversibly deactivated by loss of acidity and framework degradation caused by dealumination. Steaming typically occurs at elevated temperatures, making it challenging to ...

In this work, upgraded metallurgical grade silicon (UMG-Si) wafer was used to fabricate mesoporous nanostructures, as an effective antireflection layer for solar photovoltaic cells. The length of the vertical Si nanostructure ...

This chapter describes the state of the art in computer simulations in the context of the development of high-efficiency solar cells. It discusses how one analyses by theoretical means the structural, electronic, and optical ...

Microscale heterogeneities influence failure mechanisms in the crust. To track the microstructural changes in rock samples when loaded until failure, we employed a novel experimental technique that couples dynamic X‐ray ...

We report on a deep level transient spectroscopy study of annealing kinetics of a deep, vacancy-hydrogen related level, labeled E5* , at 0.42 eV below the conduction band in hydrogen-implanted n-type silicon. The E5* ...