Surface Passivation Research Articles

Density functional theory study on vanadium selective leaching separation from iron in stone coal via Fe2O3 (001) surface passivation

When vanadium is extracted from stone coal, iron impurities readily precipitate and reduce the purity of the vanadium product. Thus, separating vanadium from iron impurities at source is essential. The mechanism of surface passivation of Fe2O3 (001) for the selective leaching separation of vanadium from iron in stone coal was established in the present work. Analysis of mineral phase transformation and microscopic morphology indicates that Fe2O3 in stone coal can undergo a reaction with HF and F-. Subsequently, the hematite surface was covered with FeF3 passivation layer, resulting in the inhibition of hematite dissolving reaction. The results of density functional theory (DFT) computations demonstrate that the HF and F- can reform the Fe2O3 (001) surface via sedimentary behavior at mineral interface, and the adsorption energy can be down to -99.93kJ/mol for the F- adsorption configuration. During sulfuric acid leaching with CaF2 as an aiding agent, the transfer of electrons from Fe atoms to F atoms can weaken the stable Fe-F bonds and decrease the reactive activation of Fe atoms in Fe2O3. This study demonstrates the separation of vanadium from iron by means of hematite passivation in the attendance of fluoride at the atomic level of analysis.

Corrosion and wear mechanisms of rare earth (Gd, Sc, Y)-doped Zr-based amorphous alloys

Rare-earth elements have been utilized in the design and development of new amorphous alloys to improve the corrosion and wear resistance of Zr-based amorphous alloys. In this study, a rare-earth doped Zr-based amorphous alloy (Zr-BMG(RE)) was prepared by the copper mold casting method, which was investigated by corrosion and wear experiments. The results show that Zr-BMG(RE) has a completely amorphous structure, and the doping of rare earths Gd and Y raises the crystallization transition temperature of the amorphous. The addition of rare earth elements Gd and Sc increases the microhardness of Zr-based amorphous alloys, while rare earth element Y causes a slight decrease in microhardness. Gd and Sc will make Zr-based amorphous materials corrosion current density increases, the material pitting and localized corrosion, acid corrosion resistance is reduced. Y doping improves the self-corrosion potential of Zr-based amorphous alloys, reduces the corrosion current density, the surface passivation film is the densest, and the degree of charge transfer on the metal surface is the most difficult, Zr-BMG(Y) has a better corrosion resistance compared with other alloy materials. Zr-BMG(Gd) has the smallest friction rate (1.72×10-7mm3N-1mm-1), and the wear rates of the rare earth doped Zr-based amorphous alloys are all smaller than that of Zr-BMG, and the main loss mechanism of Zr-based amorphous alloys is the interaction of adhesive wear, abrasive wear, oxidative wear and fatigue wear. The mechanism of corrosion and wear resistance of rare earth to Zr-based amorphous alloys is discussed, which provides a new idea for the design of amorphous alloys.

A Universal Ternary Solvent System of Surface Passivator Enables Perovskite Solar Cells with Efficiency Exceeding 26.

Surface passivation is a vital approach to improve the photovoltaic performance of perovskite solar cells (PSCs), in which the passivator solvent is an inevitable but easy-ignored factor on passivation effects. Herein, a universal ternary solvent system of surface passivators is proposed through comprehensively considering the solubility and selective perovskite dissolution of the solvent to maximize the passivation effect. Tetrahydrothiophene 1-oxide (THTO) is selected as the passivation promoter by comparing the binding energy with perovskite and the ability to distort the perovskite lattice among various aprotic polar solvent molecules, which can facilitate the passivator's reaction with perovskite and achieve sufficient passivation on perovskite surface. Besides, chlorobenzene (CB) is used as the diluting agent to minimize the amount of isopropanol (IPA), inhibiting the additional solvent-induced defects. As a result, the planar PSCs achieve a power conversion efficiency (PCE) of 26.05%, (certificated 25.66%). Besides, the unencapsulated devices exhibit enhanced stability, which can maintain 95.23% and 95.68% of their initial PCE after 2000h of storage in ambient air and 800h of light-soaking in N2-glovebox. Moreover, this ternary solvent system also exhibits a well applicability and reliability in different passivator such as PEAI, BAI, and so on.

Hybrid Planar Copolymer Membranes with Dual Functionality against Bacteria Growth.

Antibacterial surfaces can be classified into two categories: passive surfaces, which repel bacteria by affecting surface wettability, and active surfaces, which have bactericidal properties that disrupt cell membranes upon contact. With the increasing demand for effective antibacterial solutions that combine these properties, advanced strategies are concentrating on developing surfaces with dual antimicrobial functionalities. Here, we present surfaces with nanotexture resulting from the phase separation of two different amphiphilic block copolymers displaying efficient dual functionality against bacteria growth. This approach combines the inherent antifouling properties of poly(ethylene oxide) as the hydrophilic domain of one copolymer with the antimicrobial effect of a peptide covalently attached to the hydrophilic domain of the second copolymer. The planar membranes are generated by self-assembly of the amphiphilic copolymer mixture deposited by Langmuir-Blodgett and Langmuir-Schaffer methods on a solid support, followed by covalent attachment of the antimicrobial peptides to one of the copolymers, specifically functionalized. Combining both copolymers, in terms of their properties and functionalities on the same surface, significantly limitsEscherichia colibiofilm formation and effectively eradicates bacteria during short-term incubation. While such multifunctional antimicrobial planar polymer membranes show promising potential in the design of fine coatings for small surgical or implantable devices, they are not limited to this application. Their use can be completely changed by attaching other active molecules or assemblies to induce specific multifunctionality for the targeted application.

Anion regulation for surface passivation enables ultrahigh-stability perovskite nanocrystals.

All-inorganic perovskite CsPbBr3 nanocrystals (NCs) display high photoluminescence quantum yield and narrow emission, which show great potential application in optoelectronic devices. However, the poor environment stability of NCs will hinder their practical application. Herein, a series of ionic liquids with different anions (BF4-, Br-, and NO3-) were used as a sole capping ligand to synthesize NCs. Among the three samples, 1-hexadecyl-3-methylimidazolium tetrafluoroborate ([C16MIM]BF4) capped NCs have the highest stability in light, thermal, and water, possibly attributing to the in situ passivation of bromine vacancy via pseudohalogen BF4- and tight binding of ionic liquid ligands and lead atoms. In addition, green-emission [C16MIM]BF4 NCs were used to assemble a white light-emitting diode device, and it possessed a wide National Television System Committee color gamut of 124.5% and a stable emission peak at high driving currents of 380 mA. This work paves the way for resurfacing perovskite NCs with ultrahigh stability, thereby driving the perovskite NC display industry closer to real-world application.

Simple Smoothing of the Bottom Silicon Surface Using Wet Chemical Etching Methods for Epitaxial III‐V/Silicon Tandem Manufacturing

The implementation of diverse technologies has recently facilitated the production of cost‐effective and highly efficient solar cells. High‐efficiency solar cells with III‐V compounds tandem crystalline silicon cells have achieved photovoltaic efficiency of higher than 39%. Etching silicon wafers plays a vital role in the deposition of epitaxial layers, neutralizing dangling bonds, and surface passivation for tandem solar cells. The wafers are polished using a solution of HF–HNO3–CH3COOH (HNA) and 20% KOH to smoothen the wafer surface. When HNA wet etching is performed for 3.5 min and the 20% KOH etching lasts for 6 min, the microroughness of the wafer is 1.9 nm with a measurement area of 10 × 10 μm2 and 0.816 nm within an area of 1 × 1 μm2. Compared with the as‐cut wafer, the reflectance increases from 31.7% to 34.7%, and the effective minority carrier lifetime, with 30 nm Al2O3 passivation after 450 °C activated, increases from 1.4 to 1.8 ms in a carrier density of 1.0 × 1015 cm−3.

Passive Stylus Tracking: A Systematic Literature Review

Passive stylus systems offer a simple and cost-effective solution for digital input, compatible with a wide range of surfaces and devices. This study reviews the domain of passive stylus tracking on passive surfaces, a topic previously underexplored in existing literature. We answer four key research questions: what type of systems exist in this domain, what methods do they use for tracking styli, how accurate are they, and what are their limitations? A systematic literature review resulted in 24 papers describing passive stylus systems. Their methods primarily fall into four categories: monocular cameras with image processing, multiple camera systems with image processing, machine learning systems using high-speed cameras or motion capture hardware, and radio frequency signal-based systems with signal processing. We found the system with the highest accuracy used a single monocular camera. In many systems, markers such as retroreflective spheres, tape, or fiducial markers were used to enhance the feature matching. We have also found stagnation and in some cases, regression in the precision and reliability of these systems over time. The limitations in these systems include the lack of varied stylus form factor support, the restriction to specific camera positions and angles, and the requirement of expensive hardware. Given these findings, we discuss the important characteristics and features of passive stylus systems and propose ways forward in this field.

Surface Passivation to Improve the Performance of Perovskite Solar Cells

Surface Passivation to Improve the Performance of Perovskite Solar Cells

Regulating Chlorine and Hydrogen Atom Transfer for Selective Photoelectrochemical C─C Coupling by Cu-coordination Effect at Semiconductor/Electrolyte Interfaces.

Semiconductor-based photoelectrochemical (PEC) organic transformations usually show radical characteristics, in which the reaction selectivity is often difficult to precisely control due to the nonselectivity of radicals. Accordingly, several simple organic reactions (e.g., oxidations of alcohols, aldehydes, and other small molecules) have been widely studied, while more complicated processes like C─C coupling remain challenging. Herein, a synergistic heterogeneous/homogeneous PEC strategy is developed to achieve a controllable radical-induced C─C coupling reaction mediated by the copper-coordination effect at the semiconductor/electrolyte interfaces, which additionally exerts a significant impact on the product regioselectivity. Through experimental studies and theoretical simulations, this study reveals that the copper-chloride complex effectively regulates the formation of chloride radicals, a typical hydrogen atom transfer agent, on semiconductor surfaces and stabilizes the heterogeneous interfaces by suppressing the radical-induced surface passivation. Taking the Minisci reaction (the coupling between 2-phenylquinoline and cyclohexane) as a model, the yield of the target C─C coupling product reaches up to 90% on TiO2 photoanodes with a selectivity of 95% and long-term stability over 100h. Moreover, such a strategy exhibits a broad scope and can be used for the functionalization of various heteroaromatic hydrocarbons.

Comparative Study of High Voltage Spinel∥Lithium Titanate Lithium‐ion Batteries in Ethylene Carbonate Free Electrolytes

AbstractA persistent obstacle towards the realization of high voltage cathodes is electrolyte instability where oxidation and transition metal dissolution manifest in rapid capacity failure with both issues connected to the presence of ethylene carbonate in the electrolyte. Here, alternative electrolyte co‐solvents are investigated and compared, where the cyclic carbonate is replaced with sulfones ethyl methyl sulfone (EMS) and tetra methylene sulfone (TMS) and fluoroethylene carbonate (FEC). The best full cell performance was observed for cells cycled in a FEC/EMC (3/7) and FEC/EMC (1/1) electrolytes which exhibited 84–85 % capacity retention after 500 cycles. TMS/EMC (3/7), was determined to be the best performing sulfone electrolyte and maintained 71 % capacity after 500 cycles. Post‐mortem XPS analysis indicated different film forming mechanisms for the respective co‐solvent. A thicker cathode electrolyte interphase (CEI) on the LNMO was observed for the FEC containing electrolytes (relative to when TMS was used as the co‐solvent) indicating more effective passivation of the reactive cathode surface which correlated well with the enhanced cycling stability observed. For LTO, more evidence of transition metal migration and a thicker solid electrolyte interphase (SEI) layer was observed for the sulfone electrolyte suggesting more parasitic anode‐electrolyte interactions and an inability to mitigate Mn2+/Ni2+ crosstalk.

Shortwave-Infrared Silver Chalcogenide Quantum Dots for Optoelectronic Devices.

Silver chalcogenide (Ag2X, X = S, Se, Te) semiconductor quantum dots (QDs) have been extensively studied owing to their short-wave infrared (SWIR, 900-2500 nm) excitation and emission along with lower solubility product constant and environmentally benign nature. However, their unsatisfactory photoluminescence quantum yields (PLQYs) make it difficult to obtain optoelectronic devices with high performances. To tackle this challenge, researchers have made great efforts to develop valid strategies to improve the PLQYs of SWIR Ag2X QDs by suppressing their nonradiative recombination of excitons. In this Perspective, we summarize the significant approaches of heteroatom doping and surface passivation to enhance the PLQYs of SWIR Ag2X QDs, and we conclude their application in high-efficiency optoelectronic devices. Finally, we examine the future trends and promising opportunities of Ag2X QDs with regard to their optical properties and optoelectronics. We believe that this Perspective will serve as a valuable reference for future advancement in the synthesis and application of SWIR Ag2X QDs.

Vertically Oriented 2D Perovskite Layer with n = 1 Phase Enables Efficient and Stable Inverted Perovskite Solar Cells.

Surface passivation with 2D perovskites has been reported to be important for high-performance perovskite solar cells (PSCs). However, it is challenging to achieve a controlled growth of 2D perovskites, which typically feature random orientation and various n number. In this paper, we fabricate a 2D layer with a highly ordered orientation and pure n = 1 phase on top of the perovskite film using the organic spacer molecule 7-fluoro-1,2,3,4-tetrahydroisoquinolinehydrochloride (7-FTH). The formed 2D perovskites feature a highly ordered orientation normal to the substrate and a pure n = 1 phase, which efficiently passivates surface defects of the as-prepared perovskite films and improves the energy level alignment between the perovskite film and electron transport layer. Consequently, the modified PSCs achieve a champion power conversion efficiency (PCE) of 24.65% with improved VOC and fill factor. After being stored in an N2 glovebox for 1200 h and kept in ambient air (room temperature and relative humidity of 50-70%) for 840 h, the modified devices retain 93% and 95% of its initial PCE, respectively.

Influence of Substrate on Sb2Se3/CdS Heterojunction Thin Film Solar Cells and Evaluation of Their Performance by Dark J‐V Analysis

ABSTRACTA simple binary antimony selenide (Sb2Se3) absorber is evolving as an alternative photovoltaic material in thin film solar cells because of its unique properties and easy processing. Sb2Se3 thin films having good crystalline quality are grown via versatile thermal evaporation from pre‐synthesized near stoichiometric compound material on molybdenum‐coated soda lime glass (SLG) and borosilicate glass (BG) substrates. Following the systematic characterizations on the absorber films, substrate configured Sb2Se3/CdS heterojunction devices were fabricated and their photovoltaic characteristics have been studied using current density vs. voltage (J‐V), dark J‐V modeling, external quantum efficiency and capacitance vs. voltage measurements. The power conservation efficiency values of 4.88% and 5.04% were achieved for the devices fabricated on SLG and BG substrates, respectively with deficit in open circuit voltage. The obtained values are higher in comparison to the reported device efficiencies in substrate configured Sb2Se3 solar cells, in which the absorber is prepared through thermal evaporation. To understand the loss in open circuit voltage, a compact equivalent circuit model was considered and identified the contribution of different shunt leakage paths in the devices. In addition to that, the device fabricated on the SLG was stable with minimal changes in its photovoltaic performance for a period spanning over 200 days. The results obtained are encouraging with scope for improving the device performance through interface engineering and back surface passivation strategies.

A SAW Wireless Passive Sensing System for Rotating Metal Parts

Passive wireless surface acoustic wave (SAW) sensors are very useful for on-site monitoring of the working status of machines in complex environments, such as high-temperature rotating objects. For rotating parts, it is difficult to realize real-time and continuous monitoring because of the unstable sensing signal caused by the continuous change of the relative position of the rotating part to the sensor and shielding of the signal. In our SAW sensing system, we propose a loop antenna integrated with the rotating part to obtain a stable sensing signal owing to its omnidirectional radiation pattern. Methodologies for determining the antenna dimension, system operating frequency, and procedures for designing a SAW sensor tag are discussed in this paper. By fully utilizing the influence of metal rotor on antenna performance, the antenna needs no impedance matching elements while it provides sufficient gain, which equips the antenna with nearly zero temperature drift at a wide temperature-sensing range. Experimental verification results show that this sensing system can greatly improve the stability of the sensing signal significantly and can achieve a temperature sensing accuracy of ~1 °C at different rotational speeds, demonstrated by the feasibility of the loop antenna for monitoring the working status of rotating metal parts.

Regulating Zn Deposition Manner by Confining the Reactivity of Free Water in the Electric Double Layer.

Aqueous Zn ion batteries (AZIBs) are promising candidates of next-generation energy storage devices with high safety and theoretical capacity. However, the irreversibility of metallic Zn anode, attributed to dendrite growth and water decomposition, severely limits the cycling durability of AZIBs and restricts their further development. Herein, a facile surface engineering strategy is put forward to tackle the issue of poor reversibility of the Zn anode. Benzotriazole (BTA) is employed as a functional additive of ZnSO4 electrolyte to confine the reactivity of free water situated in the electric double layer (EDL). Experimental results and theoretical simulation reveal that BTA can preferiencially adsorb onto the Zn surface to uniform Zn2+ ion distribution and alleviate H2O-involved side reactions like hydrogen evolution, and surface passivation. Consequently, in BTA-modulated aqueous electrolyte, the lifespan of the Zn anode is extended from 170 h to 1092 h at 1 mA cm-2/1 mAh cm-2. The reversibility improvement of Zn anode also benefits the cycling durability of full devices including supercapacitors and batteries. Zn||I₂ batteries assembled in as-designed electrolyte witness only 11.3% capacity decay over 17000 cycles at 1 A g-1, far outstripping that observed in ZnSO4 counterpart (~ 4675 cycles).

Enhancing Extraction and Suppressing Cooling of Hot Electrons in Lead Halide Perovskites by Dipolar Surface Passivation.

Slowing hot carrier (HC) cooling and improving HC extraction are considered two pivotal factors for enhancing power conversion efficiency in emerging HC photovoltaic applications of perovskites and other materials. Employing ab initio quantum dynamics simulations, we demonstrate the simultaneous slow cooling and efficient extraction of hot electrons at the C60/CsPbI3 interface through dipolar surface passivation with phenethylammonium and 4-fluorophenethylammonium ligands. The passivation effectively suppresses I-Pb lattice vibrations, weakens the hot electron-phonon interaction in CsPbI3, and thus slows down the HC cooling. At the same time, the dipolar surface passivation elevates the LUMO + 1 state in C60 and reduces the energy gap for HC extraction. Concurrently, higher-frequency vibrations of the dipolar layer enhance the coupling between C60 and CsPbI3, promoting efficient HC extraction further. These phenomena are intensified with increased polarity of the dipolar layer. Furthermore, we find that dipolar passivation has the opposite influence on cold electron collection at the band edge, underscoring the fact that the observed improvement in photovoltaic performance stems preferentially from the effective utilization of HCs rather than cold electrons. The work provides a new strategy for achieving high-performance HC perovskite solar cells.

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The in‐situ post‐synthetic treatment of CsPbBr₃ nanocrystals confined within nanoporous silica microspheres enhances their optical properties, addressing key challenges in lead halide perovskites. Surface passivation with Br⁻ ions boosts photoluminescence quantum yield, while Mn²⁺ doping introduces a new emission band, enabling precise control of optical properties. Coating with a SiO₂ shell further enhances the stability of the nanocrystals in polar solvents, expanding their potential for diverse applications. More details are discussed in the article by Huang et al. on pages 2779—2787. image

Embedding Reverse Electron Transfer Between Stably Bare Cu Nanoparticles and Cation-Vacancy CuWO4.

Cu nanoparticles (NPs) have attracted widespread attention in electronics, energy, and catalysis. However, conventionally synthesized Cu NPs face some challenges such as surface passivation and agglomeration in applications, which impairs their functionalities in the physicochemical properties. Here, the issues above by engineering an embedded interface of stably bare Cu NPs on the cation-vacancy CuWO4 support is addressed, which induces the strong metal-support interactions and reverse electron transfer. Various atomic-scale analyses directly demonstrate the unique electronic structure of the embedded Cu NPs with negative charge and anion oxygen protective layer, which mitigates the typical degradation pathways such as oxidation in ambient air, high-temperature agglomeration, and CO poisoning adsorption. Kinetics and in situ spectroscopic studies unveil that the embedded electron-enriched Cu NPs follow the typical Eley-Rideal mechanism in CO oxidation, contrasting the Langmuir-Hinshelwood mechanism on the traditional Cu NPs. This mechanistic shift is driven by the Coulombic repulsion in anion oxygen layer, enabling its direct reaction with gaseous CO to form the easily desorbed monodentate carbonate.

Isomeric diammonium passivation for perovskite-organic tandem solar cells.

In recent years, perovskite has been widely adopted in series-connected monolithic tandem solar cells (TSCs) to overcome the Shockley-Queisser limit of single-junction solar cells. Perovskite/organic TSCs, comprising a wide-bandgap (WBG) perovskite solar cell (pero-SC) as the front cell and a narrow-bandgap organic solar cell (OSC) as the rear cell, have recently drawn attention owing to the good stability and potential high power conversion efficiency (PCE)1,2,3,4. However, WBG pero-SCs usually exhibit higher voltage losses than regular pero-SCs, which limits the performance of TSCs5,6. One of the major obstacles comes from interfacial recombination at the perovskite/C60 interface, and it is important to develop effective surface passivation strategies to pursue higher PCE of perovskite/organic TSCs7. Here we exploit a new surface passivator cyclohexane 1,4-diammonium diiodide (CyDAI2), which naturally contains two isomeric structures with ammonium groups on the same or opposite sides of the hexane ring (denoted as cis-CyDAI2 and trans-CyDAI2, respectively), and the two isomers demonstrate completely different surface interaction behaviors. The cis-CyDAI2 passivation treatment reduces the Quasi-Fermi level splitting (QFLS)-open circuit voltage (Voc) mismatch of the WBG pero-SCs with a bandgap of 1.88 eV and enhanced its Voc to 1.36 V. Combining the cis-CyDAI2 treated perovskite and the organic active layer with a narrow-bandgap of 1.24 eV, the constructed monolithic perovskite/organic TSC demonstrates a PCE of 26.4% (certified as 25.7%).

Site characterization using active and passive surface wave analysis: a case study for some representative sites in Addis Ababa, Ethiopia

Site characterization using active and passive surface wave analysis: a case study for some representative sites in Addis Ababa, Ethiopia