Interfacial Density Research Articles

Anion Competition at Positively Charged Surfactant Monolayers.

Interactions of anions with hydrophobic surfaces of proteins and water-soluble polymers depend on the ability of the ions to shed their hydration shells. At positively charged surfactant monolayers, the interactions of anions are less well understood. Due to the interplay of electrostatic surface forces, hydration effects, and ion-ion interactions in the electrostatic double layer, a comprehensive microscopic picture remains elusive. Herein, we study the interactions of chloride, bromide, and a mixture of these two anions at the aqueous interface of dihexadecyldimethylammonium (DHDA+) and dioctadecyldimethylammonium (DODA+) cationic monolayers. Using molecular dynamics simulations and three surface-sensitive X-ray scattering techniques, we demonstrate that bromide interacts preferentially over chloride with both monolayers. The structure of the two monolayers and their interfacial electron density profiles obtained from the simulations quantitatively reproduce the experimental data. We observe that chloride and bromide form contact ion pairs with the quaternary ammonium groups on both monolayers. However, ion pairing with bromide leads to a greater reduction in the number of water molecules hydrating the anion, resulting in more energetically stable ion pairs. This leads to long-range (>3 nm) lateral correlations between bromide ions on the structured DODA+ monolayer. These observations indicate that ion hydration is the dominant factor determining the interfacial electrolyte structure.

Ultrasensitive, label-free, electrochemical detection of miRNA-206 in human plasma: A potential biomarker associated with Alzheimer’s disease

An impedance-based biosensor for the ultrasensitive, selective, and label-free detection of a blood miRNA associated to Alzheimer disease (AD), miRNA-206, was developed. The principle was grounded in the changes in the charge transfer resistance (RCT) as an effect of intramolecular forces between miRNAs and ferro/ferricyanide in a well-structured transducer platform. A compact well-ordered mixed monolayer made of co-immobilized miRNA capture to 6-mercapto-1-hexanol (MCH) in a 1:4 M ratio (at 37 °C), uplifted the performance of the sensor through effectively assisting the orientation of the oligonucleotides. In this work, the remarkable response of the sensor was generated through new insights into the use of different moieties of miRNA capture to MCH, aiming to control interfacial constants, surface densities, and hybridization efficiency.A very low limit of detection, 0.15 aM, is achieved and the sensor has a wide linear dynamic range (from 1 aM to 1 μM), high selectivity to mismatches, low non-specific binding of proteins (BSA) and good stability (<10 % change in response after 14 days storage). Importantly, the sensor successfully measured miRNA-206 concentrations in real plasma samples (>95 % recovery), correlating directly with qPCR results. Nanomolar concentrations of miRNA-206 were found in the plasma of confirmed AD patients, while healthy controls, had a concentration of pM or lower. The biosensor's ability to quantitatively detect miRNA-206 in plasma without target amplification, e.g., using PCR, is significant, opening the possibility of developing a point-of-care diagnostic device for AD screening, contributing to clinical trials and patient care.

Reduction in density of interface traps determined by C-V analysis in III-nitride-based MOSHFET structure

An in situ metal-organic chemical vapor phase epitaxy is used to grow a complete AlGaN/GaN metal oxide semiconductor heterojunction field effect transistor (MOSHFET) structure, gated by a gallium oxide (Ga2O3) layer; we observed reduction in the interfacial trap density compared to its version wherein the Ga2O3 was grown ex situ, after breaking the vacuum, all else being the same. A remarkable decrease in the interfacial charge density for in situ MOSHFET structures in the range of 70%–88% for 10–30 nm oxide layer thickness and improvements in other electrical parameters required for high-performing devices were observed.

Low-cost, stable all-inorganic charge transporting layer based FAPI perovskite solar cells achieving ≈ 26% efficiency using SCAPS-1D

The superior opto-electronic properties of metal halide perovskites have uncovered great potential as light harvesters for thin-film photovoltaics, capturing the dominant research trend for over a decade now. While Perovskite Solar Cells (PSCs) depict promising results of a successful photovoltaic technology, further replacement of conventional charge transporting layers (CTLs) with inorganic counterparts can impart sustainable device stability and cost-effectiveness. Here, we represent a theoretical study aimed to analyse the performance of Formamidinium Lead Iodide (FAPI) based PSCs using SCAPS-1D simulation tool (version 3.3.09). The solar cell is designed into a novel, and cost-effective inverted p-i-n architecture comprising of inorganic transporting layers. The introduction of a thin CuI buffer layer accompanied with the hole transporting layer (HTL) was found to boost the device performance greatly. Furthermore, a systematic analysis of the device parameters was carried out based on crucial factors like thickness of the absorber, CTLs, and buffer layer, interfacial defect densities (Nit), series resistances (RS) and working temperature (T). In addition to this, we also conducted a study on the combined effect of absorber defect density (Nt) and thickness on our simulated PSC. Our optimized device configuration ITO/CuI/Cu2O/FAPI/ZnO/Al, resulted in an ideal device efficiency of ≈ 26% and a reasonably high efficiency of 21.58% adopting a more realistic approach. This study therefore focuses on an economical architectural design strategy with an emphasis on device efficiency, and its long-term sustainability.

Size-dependent irradiation tolerance and mechanical properties in WTaTiVCr/W multilayered films

Increasing the interface density in nuclear-material systems has been proposed to be a promising strategy for annihilating defects introduced by ion irradiation. The role of interface characteristics between the WTaTiVCr refractory high entropy alloy (RHEA) and metal tungsten (W) on the irradiation resistance is rather unclear because of the distinct defect energy that exists in these two kinds of materials. Here, the nano-crystalline and amorphous mixed structures were obtained in WTaTiVCr/W multilayers to investigate the irradiation tolerance and mechanical properties. After being exposed to a 60 keV helium (He) ion irradiation platform at a fluence of 1 × 1017 cm−2, the grain sizes in irradiated multilayers were slightly decreased from 12.4 nm to 7.2 nm with increasing individual thickness, which was explained from the perspective of He+ energy deposition. The dependence of bubble growth in multilayers on the individual thickness was disclosed based on the analysis of bubble size and its pressure in the RHEA and W layers. The phase structures and element distributions in WTaTiVCr/W multilayers were also revealed by the defect formation and crystallization. Also, a maximum irradiation hardening of 1.91 GPa in the RHEA(10)/W(7) multilayer was disclosed, and the irradiation hardening in the multilayers exhibited a decreasing trend with increasing monolayer thickness, and the corresponding mechanisms about the hardening behaviors in these multilayers were also discussed based on the interface density and irradiation-induced defects.

CoP Quantum Dots Embedded in Carbon Polyhedra through Co─P─C Bonding Enabling High‐Energy Lithium‐Ion Capacitors

AbstractPhosphides with high theoretical capacity are considered ideal anode materials for lithium‐ion capacitors (LICs), but poor electronic conductivity as well as unsatisfied cyclic stability limits the performance of the phosphides. Here a covalently bonded CoP@C heterostructure is reported, which consists of 5 nm CoP quantum dots (QDs) like pomegranate seeds pinned in carbon polyhedron through interfacial Co─P─C bonding. The ultrafine size of CoP QDs provides more reactive sites and a shorten electrons/ions diffusion path, boosting the specific capacity. The Co─P─C bond induces the energy band variation of CoP and increases the interfacial charge density, bringing about fast kinetics. Besides, the Co─P─C bond introduces a robust pining effect among CoP QDs and carbon polyhedra, greatly improving the structure stability of 5 nm CoP QDs. The CoP@C heterostructure electrode exhibits high capacity (nearly 1000 mAh g−1) and superior cycling stability. It is worth noting that a prototyped LIC full‐cell of YP80//CoP@C presents an impressive high energy density of 172 Wh kg−1 and a power density of 10.8 kW kg−1. Moreover, the LIC possesses an ultra‐long life, retaining 80% after 20,000 cycles. This study offers an effective design for phosphides achieving fast kinetics and superior structure stability through an interfacial bonding approach.

Optimization of Perovskite/Colloidal Quantum Dot Monolithic Tandem Solar Cell to Enhance Device Performance via Solar Cell Capacitance Simulator 1D

Tandem solar cells (TSCs) based on metal halide perovskites offer a route to increase power conversion efficiency (PCE). However, there are limited options for narrow‐bandgap bottom subcells. Colloidal quantum dots‐based solar cells are found attractive for this role. Herein, a cost‐effective two‐terminal (2T) monolithic TSC structure consisting of wide‐bandgap all‐inorganic perovskite top subcell and narrow‐bandgap chalcogenide PbS quantum dots bottom subcell is proposed. For optimization of the PCE of the tandem structure, standalone and tandem analysis are done in terms of variation of absorber layer thickness, total defect density, interfacial defect density, back metal contact, current density voltage (J–V) curves, external quantum efficiency, current matching, and tandem photovoltaic parameters. Optimized TSCs designed with the 530 nm/450 nm‐thick absorber layers of top/bottom sub cells result in of 19.28 mA cm−2, of 1.89 V, and PCE of 27.32%. It is found that performance of the device is very sensitive to the total defect density of the bottom subcell. Therefore, high PCE can be obtained by controlling the total defect density of the bottom subcell. This work motivates the experimental realization of low‐cost, high‐efficiency TSCs for further research.

Analysis of the correlation mechanism between geometric parameters and the thermal environment of Xi'an's summer outdoor commercial pedestrian streets.

Intensive urban development has resulted in the degradation of the urban thermal environment in most regions. There is a growing consensus on the need to enhance urban thermal comfort through well-designed forms, especially in open spaces like urban canyons. To address this, our study focuses on Xi'an's commercial pedestrian streets, employing K-means clustering analysis to create 32 representative models based on actual scenes, capturing their textural characteristics. Simultaneously, 11 geometric indicators (2D/3D) were chosen to quantify the canyon's geometric form. We assessed the spatial and temporal distribution differences in the thermal environment across these models using Envi-met simulation. Finally, Spearman correlation analysis was employed to examine the correlation and significance of the two sets of indicators, culminating in formulating an ideal model. The findings reveal that (1) wind conditions are predominantly influenced by the canyon's geometric form, followed by solar radiation and temperature, with the lowest relative humidity change amplitude among the assessed thermal parameters. (2) Among the 11 geometric form indicators, 3D indicators correlate more significantly with thermal environment parameters than 2D indicators. Specifically, street orientation significantly impacts the thermal environment, Build-To-Line Rat holds greater significance than interface density, and both building shape coefficient and block surface ratio are significantly correlated with air temperature and wind speed, with a weaker correlation to solar radiation. (3) In the Xi'an region, courtyards oriented north-south demonstrate a more favorable trend in the thermal environment.

Characteristics of particle size classification and classified separation for coal gasification fine slag

ABSTRACT A considerable volume of coal gasification fine slag (CGFS) has hampered the growth of the coal chemical sector. Carbon/ash separation in CGFS is a prerequisite for efficient treatment and resource utilization. This work focuses on the residual carbon classified separation of CGFS. The composition and structural characteristics of CGFS were studied through wet screening, and classified it on the differences in physicochemical properties. And then, it investigates the interface separation and density separation characteristics of different classification components of CGFS. The results show that the CGFS can be divided into high-ash fine-grained (HAFG) component (<0.074 mm), high carbon (HC) component (0.074–0.25 mm), and high-ash coarse-grained (HACG) component (>0.25 mm). The HAFG component is appropriate for interface difference separation, producing a carbon-rich product (fragmented carbon) with an ash of 32.90% and a mineral-rich produce (powdery ash) with an ash of 96.29%. The HC component is appropriate for density difference separation, producing a carbon-rich product (porous carbon) with an ash of 17.41% and a mineral-rich product (sandy ash) with an ash of 92.05%. The HACG component does not need to be decarbonized.

Optimizing nanofluid additives for enhanced thermophysical properties in anionic crude oil for EOR applications

AbstractThis research delved into the effects of introducing multi‐walled carbon nanotubes (MWCNTs) and sodium dodecyl sulphate (SDS) into crude oil with an anionic base, aiming to enhance its thermophysical attributes in the EOR process. The investigation encompassed a range of properties, including interfacial tension, viscosity, density, and electrical conductivity, measured using an LV rheometer with spindle 18. Various ratios of MWCNTs and SDS were mixed with the crude oil to evaluate their impacts. The study uncovered that the 1:1 ratio of MWCNTs to SDS achieved a noteworthy 10% reduction in interfacial tension while minimally affecting viscosity, showing promise for practical applications. Temperature had diverse effects on viscosity and interfacial tension, displaying fluctuating trends. The highest observed result was a substantial 190% viscosity increase at 40°C with a 2:1 ratio, whereas the lowest was a slight −0.81% density change at 60°C for the 1:1 ratio. Additionally, interfacial tension consistently decreased over time for all ratios at various temperatures, with the most significant reductions observed at 40 and 60°C, particularly for the 1:2 and 1:1 ratios. Furthermore, adding MWCNTs and SDS led to a remarkable drop in electrical conductivity, indicating a substantial decrease in salt content within the crude oil. However, it was noted that higher MWCNT concentrations might not be cost‐effective, emphasizing the importance of optimizing additive ratios for a balance between performance and economic viability. This study highlights the potential of tailored nanofluid formulations to improve the thermophysical properties of crude oil, potentially enhancing extraction and refining processes.

Incorporating Electrolyte Correlation Effects into Variational Models of Electrochemical Interfaces.

We propose a way for obtaining a classical free energy density functional for electrolytes based on a first-principle many-body partition function. Via a one-loop expansion, we include coulombic correlations beyond the conventional mean-field approximation. To examine electrochemical interfaces, we integrate the electrolyte free energy functional into a hybrid quantum-classical model. This scheme self-consistently couples electronic, ionic, and solvent degrees of freedom and incorporates electrolyte correlation effects. The derived free energy functional causes a correlation-induced enhancement in interfacial counterion density and leads to an overall increase in capacitance. This effect is partially compensated by a reduction of the dielectric permittivity of interfacial water. At larger surface charge densities, ion crowding at the interface stifles these correlation effects. While scientifically intriguing already at planar interfaces, we anticipate these correlation effects to play an essential role for electrolytes in nanoconfinement.

Ultrahigh Photoresponsivity of W/Graphene/β-Ga2O3 Schottky Barrier Deep Ultraviolet Photodiodes.

The integration of graphene with semiconductor materials has been studied for developing advanced electronic and optoelectronic devices. Here, we propose ultrahigh photoresponsivity of β-Ga2O3 photodiodes with a graphene monolayer inserted in a W Schottky contact. After inserting the graphene monolayer, we found a reduction in the leakage current and ideality factor. The Schottky barrier height was also shown to be about 0.53 eV, which is close to an ideal value. This was attributed to a decrease in the interfacial state density and the strong suppression of metal Fermi-level pinning. Based on a W/graphene/β-Ga2O3 structure, the responsivity and external quantum efficiency reached 14.49 A/W and 7044%, respectively. These values were over 100 times greater than those of the W contact alone. The rise and delay times of the W/graphene/β-Ga2O3 Schottky barrier photodiodes significantly decreased to 139 and 200 ms, respectively, compared to those obtained without a graphene interlayer (2000 and 3000 ms). In addition, the W/graphene/β-Ga2O3 Schottky barrier photodiode was highly stable, even at 150 °C.

Mesoscopic irreversible thermodynamics of aging kinetics of alpha polypeptides [DNA] under various constraints: Special reference to the simple spring mechanics

The mesoscopic irreversible thermodynamic treatment of α-polypeptides and the helical polynucleotides (DNA) furnishes two sets of analytical expressions, which allow us not only to analyze the reversible force–extension experiments performed by atomic force microscopy (AFM) but also to predict the irreversible “aging” kinetics of the single-stranded and double-stranded polynucleotides (ssDNA and dsDNA) helical conformations exposed to aqueous solutions and applied static stress systems under the various constraints. The present physicochemical cage model emphasizes the fact that the global Helmholtz free energy of the helical conformation acts not only under the stored “intrinsic” unusual torsional and bending elastic energies inherited by the unfolded helical structure of the amino-acid (peptides) or the nucleic-acid (nucleotide) backbone but also reveals the importance of the interfacial Helmholtz free energy density associated with the interaction of the side-wall branches within the surrounding aqueous solutions. The analytical expression obtained for the unfolding force vs extension (FE) shows a strong non-linear elasticity behavior under the twist angle constraint when the interfacial Helmholtz energy term is incorporating into the scenario. This behavior is in excellent quantitative agreement with the AFM test results obtained by Idiris et al. (2000) on the poly-L-glutamic acid [Glu(n)-Cys] exposed to aqueous solutions, which show that acidity increases the degrees of helicity.

Ellipsometry of very thin Al2O3-HfO2 stacks for nano-memory applications

Nowadays, the way towards manufacturing of advanced flash memory devices with conformal layers in stacks or laminates depends on their physical characterisation, i.e. the layer and interface thicknesses, density and composition. The transition dimension between thin and very thin stacks is in the range of few nanometres. The assumption that the oxide layer properties in the very thin stacks are constant in depth or are the same as for the bulk material values is not correct. We have applied ellipsometry (Variable Angle Spectral Ellipsometry, and Multiple Angle Incident Ellipsometry) with appropriate algorithms for data interpretation to investigate very thin Al2O3/HfO2 stacks (5 bioxide blocks) grown by ALD with a total thickness below 20 nm. Depth profiling was used in simulations as a complimentary tool. A quantitative determination of HfO2 volume fraction in the stack depth was obtained. An independent determination of the thicknesses and the composition of blocks in the stacks were achieved. Lorenz-Lorentz mixing model was applied for the estimation of dielectric properties of the different layers in the stack depth.

Boosting phonon transport across AlN/SiC interface by fast annealing amorphous layers

The high increase in interface density has become the main bottleneck for heat dissipation in gallium nitride/aluminum nitride (AlN)/silicon carbide (SiC) based nanodevices. In this paper, the interfacial thermal conductance (ITC) of AlN/SiC interface is investigated by non-equilibrium molecular dynamics simulation. It is found that introducing amorphous layers at AlN/SiC interface will result in an enhancement of its ITC by 2.32 times. Three different amorphous layers are investigated and can be achieved by fast thermal annealing. Among them, the amorphous SiC layers work best, and the amorphous AlN layers work worst. Further spectral analysis reveals that the enhancement of ITC comes from the strengthening of interfacial inelastic phonon processes, which boosts the transport of modes at a wide frequency range. What is more, as the thickness of amorphous layers increases, the enhancement of ITC weakens. This research provides a highly operational strategy to enhance ITC and enriches our understanding of inelastic phonon process at interface.

First-principles comparative study on diamond/carbide combinations: Interfacial adhesion and bonding nature

Joining diamond and metal is vital to expand their application scope in electronic and military industries. A metallic carbide layer will be inevitably introduced on diamond to ensure strength and wettability, its tight interfacial adhesion with diamond needs to be satisfied in priority. Here, the bonding characteristics of diamond(001)/carbide(001) interfaces were comparatively studied through first-principles calculations, wherein six experimentally possible carbides MxCy (TiC, Cr3C2, V8C7, Mo2C, ZrC, and WC) were employed. By evaluating the thermal stability, activity, and mechanical properties of bulk MxCy, as well as the corresponding interface energy and adhesion work, three outstanding interface structures (with Cr, W, and Ti) were yielded. Further analysis of electronic structures showed the interfacial bonding originated from M–C bonds and stronger CC covalent bonds. Besides, bonding strength was found to be significantly related to interfacial charge density and orbital hybridization. Overall, Cr might be the preferable carbide former with high interfacial stability and strength. This study provided atomic insights into the tailoring of diamond/carbide combination with superior interfacial compatibility to develop high-performance diamond devices.

Perpendicular magnetic anisotropy properties of Co2FeSi/Pt multilayers deposited on amorphous dielectric Ta2O5

Perpendicular magnetic anisotropy (PMA) is the mostsignificant characteristic for the development ofnonvolatile magnetic storage systems with superior performance. Hence, we investigate PMA of Co2FeSi (CFS)/Pt structures deposited on amorphous Ta2O5 of high dielectric constant. This design has the potential to be beneficial for low-power voltage-controlled spintronic devices. Strong PMA around ∼ 106 erg/cm3 is noticed in Ta2O5/[CFS/Pt]3 stacks with CFS thickness ranging from 0.6 ∼ 1.0 nm. The interfacial PMA energy density is found to be ∼ 0.63 erg/cm2. The PMA rises in the beginning with increase in number of repetitions (n), reaches a maximum of1.4x106 erg/cm3 at n = 3, and then falls. Pronounced thickness effects of Ta2O5 buffer on magnetic properties are observed. We clearly demonstrate the process of engineering PMA in the CFS/Pt bilayer structures deposited on Ta2O5 dielectric. Our findings might be useful for designing CFS/Pt multilayers on high-K dielectric for low power consumption spintronic devices.

Effective passivation of p- and n-type In0.53Ga0.47As in achieving low leakage current, low interfacial traps, and low border traps

We have attained low leakage current, low interfacial traps, and low border traps by effectively passivating both p- and n-In0.53Ga0.47As (InGaAs) surfaces using the same gate dielectrics of ultra-high-vacuum deposited Al2O3/Y2O3. Gate leakage currents below 2 × 10−7 A/cm2 at gate fields of ±4 MV/cm were obtained after 800 °C rapid thermal annealing, demonstrating the intactness of the interface and heterostructure. Negligibly small frequency dispersions in the capacitance–voltage (C–V) characteristics of p- and n-type metal-oxide-semiconductor capacitors (MOSCAPs) were obtained from accumulation, flatband, to depletion as measured from 300 K to 77 K, indicative of low border and interfacial trap density; the C–V frequency dispersions in the accumulation region are 1.5%/dec (300 K) and 0.19%/dec (77 K) for p-InGaAs, and 2.2%/dec (300 K) and 0.97%/dec (77 K) for n-InGaAs. Very low interfacial trap densities (Dit's) of (1.7–3.2) × 1011 eV−1cm−2 and (6.7–8.5) × 1010 eV−1cm−2, as extracted from the conductance method, were achieved on p- and n-InGaAs MOSCAPs, respectively.

Impact of Chiral Spinterfaces on Magneto-Photoluminescence Effects for Chiral Lead Halide Perovskites.

Chiral lead halide perovskites (LHPs) have been widely investigated in chiroptical spintronics due to their significant Rashba spin-orbit coupling (SOC) and chiral-induced spin selectivity (CISS). Ferromagnet/LHP spinterface stems from the orbital hybridization at the interface of the ferromagnet and the nonmagnetic semiconductor, where interfacial density of state is spin-dependent. By far, the impact of the ferromagnet/chiral LHP spinterface on magneto-photoluminescence (Magneto-PL) of chiral LHPs remains unknown. In this work, we find that the negative and tunable Magneto-PL effects for the pristine LHP bulk film can be drastically enhanced by incorporating ferromagnetic/chiral LHP interfaces. A large Magneto-PL magnitude can reach approximately -13% for the Ni/(S-MBA)2PbI4 interface at the field strengths of ±900 mT. With the assistance of circularly polarized PL spectra, anisotropic magneto-resistance, and X-ray photoelectron spectroscopy measurements, we demonstrate that the ferromagnet/chiral LHP interfaces are chirality/spin-dependent and possess ferromagnetic property due to distinct magnetic switching behavior and electronic orbit coupling at interfaces, which boost the Rashba splitting and spin mixing. The comprehensive effects of Rashba-induced exciton states and chiral-induced SOC at chiral spinterfaces with CISS are responsible for the enhanced Magneto-PL of Ni/(R/S-MBA)2PbI4. It is postulated that the chiral spinterfaces play a dominant role for achieving large and tunable magneto-optical effect of chiral LHPs. This work paves the way for chiroptical spintronic applications.

Exploring non-stoichiometric SiOx thin film for non-volatile memory application

This article explores the electrical performance of capacitive memory and resistive switching (RS) devices based on thin films of a single active layer of Silicon oxide (SiOx). The fabricated device Au/SiOx/p-Si displayed frequency-dependent characteristics ranging from 200 kHz to 1 MHz w.r.t capacitance. The charge trapping nature was also investigated, which revealed a charge storage density (N) of order 1010 cm−2 and a low trapping density of interface (Dit) ∼2.65 × 1011 eV−1 cm−2. Furthermore, the device exhibits bipolar RS behavior while maintaining a stable endurance for 1000 DC sweeping cycles and a good retention period of > 103 s. The major pathway of the conduction mechanism in these devices is attributed to the accumulation of oxygen vacancies near the Au/SiOx interface. The conduction in this device is predominantly governed by trap-mediated space-charge-limited current (SCLC) and ohmic conductions.