Copper-based Materials Research Articles

STRUCTURAL, ELECTRONIC AND MAGNETIC PROPERTIES OF VANADIUM DOPED DELAFOSSITE CUGAO2: AN AB INITIO STUDY

Delafossite copper gallium oxide (CuGaO2) is one of the most important copper-based delafossite materials reported. It has variety of applications that include but are not limited to; photo catalysis, dye-sensitized solar cells. However, due to the wide band gap of this material, it appears very attractive as transparent conductive oxide (TCO). Thus, it is very important and applicable in optoelectronic device technologies. In this paper, the structural, electronic and magnetic properties of vanadium (V) doped delafossite CuGaO2 are investigated using first principle study based on density functional theory (DFT) as implemented in the QUANTUM ESPRESSO simulation package. We used Perdew-Burke-Ernzerhof (PBE) generalized gradient approximation (GGA) exchange-correlation scheme for the undoped and vanadium (V) doped structures. There is no structural transition after the doping. The results indicated that the V doping reduced the band gap of the undoped delafossite CuGaO2 by 0.8 eV. It also contributed more to the conduction band states. However, our results also revealed that the 50 % V doping induced significant changes to the magnetic properties of the undoped CuGaO2. It was found that the undoped CuGaO2 is slightly paramagnetic similar to the same group member CuAlO2, whereas the V doped CuGaO2 system is slightly ferromagnetic. This result is in agreement with previous literature concerning the effect of doping semiconductor material with magnetic metals. Thus, based on our results, V doped CuGaO2 material may be considered as an important candidate for spintronics and other related applications.

Orientation-dependent oxidation behavior of Cu under In-situ E-Beam irradiation

Herein, we present an atomic in-situ investigation of Cu oxidation along different orientations stimulated by high-energy electron beams (E-Beam) in transmission electron microscopy (TEM). By following the microstructural evolution of the Cu substrate in real time, high-resolution TEM (HRTEM) images reveal an orientation-dependent oxidation mechanism, whereby Cu along [110] zone axis migrates onto the surface and be oxidized while Cu along [100] zone axis is oxidized completely both in bulk and at the surface. The different oxidation mechanisms can be attributed to the differing diffusion rates of oxygen in Cu structures along directions. Moreover, the growth of Cu oxides is found to follow a layer-by-layer mechanism, where Cu mostly migrates onto nanocrystal {110} planes. This behavior would lead to the oxides wider in geometric shape and therefore promote the aggregation of adjacent oxides. These findings have important implications for the practical use of copper-based materials in oxidizing environments.

Advancements in Additive Manufacturing for Copper-Based Alloys and Composites: A Comprehensive Review

Copper-based materials have long been used for their outstanding thermal and electrical conductivities in various applications, such as heat exchangers, induction heat coils, cooling channels, radiators, and electronic connectors. The development of advanced copper alloys has broadened their utilization to include structural applications in harsh service conditions found in industries like oil and gas, marine, power plants, and water treatment, where good corrosion resistance and a combination of high strength, wear, and fatigue tolerance are critical. These advanced multi-component structures often have complex designs and intricate geometries, requiring extensive metallurgical processing routes and the joining of the individual components into a final structure. Additive manufacturing (AM) has revolutionized the way complex structures are designed and manufactured. It has reduced the processing steps, assemblies, and tooling while also eliminating the need for joining processes. However, the high thermal conductivity of copper and its high reflectivity to near-infrared radiation present challenges in the production of copper alloys using fusion-based AM processes, especially with Yb-fiber laser-based techniques. To overcome these difficulties, various solutions have been proposed, such as the use of high-power, low-wavelength laser sources, preheating the build chamber, employing low thermal conductivity building platforms, and adding alloying elements or composite particles to the feedstock material. This article systematically reviews different aspects of AM processing of common industrial copper alloys and composites, including copper-chrome, copper-nickel, tin-bronze, nickel-aluminum bronze, copper-carbon composites, copper-ceramic composites, and copper-metal composites. It focuses on the state-of-the-art AM techniques employed for processing different copper-based materials and the associated technological and metallurgical challenges, optimized processing variables, the impact of post-printing heat treatments, the resulting microstructural features, physical properties, mechanical performance, and corrosion response of the AM-fabricated parts. Where applicable, a comprehensive comparison of the results with those of their conventionally fabricated counterparts is provided.

Evaluation of antibacterial activity and influencing factors of normal and nanostructured copper-based materials

BackgroundCopper-based materials have garnered extensive recognition for their effective nature against microorganisms and their minimal toxicity. However, the evaluation for their antibacterial activity is still in its nascent stages, and the evaluation results based on existing criteria are not representative of real-world application. AimTo evaluate the antibacterial activity and primary determinants of influence of copper-based materials in order to investigate their practical antibacterial activity and potential mechanisms of such materials. MethodsStaphylococcus aureus and Escherichia coli bacterial suspensions were applied via inoculation onto the surfaces of normal and nanostructured copper foil. Following incubation of the inoculated surfaces under diverse experimental conditions—including varying compositions of the bacterial suspension, the use of chemical neutralizers, the existence of organic interferents, and low temperature and humidity—surviving bacteria were enumerated. Using the scanning electron microscopy and X-ray photoelectron spectroscopy, the surface changes of copper-based materials were examined. FindingsFollowing 1 h of exposure to 37 °C and 90% relative humidity, Staphylococcus aureus was reduced by 4.45 log10 on normal copper foil, while all of the bacteria were eradicated on nanostructured copper foil. In addition, it was discovered that preparing a bacterial suspension with PBS results in a significant number of Escherichia coli fatalities during the test, whereas using TPS promotes the bacteria's normal growth. Furthermore, the outcomes of the antibacterial activity test were diminished when chemical neutralization was employed, and the presence of organic interferents had distinct impacts on normal copper foil and nanostructured copper foil. Additionally, low temperatures and humidity diminished the antibacterial activity of copper foil, whereas normal copper foil produced significantly better results. ConclusionWhile copper-based materials exhibit robust antibacterial activity as determined by standard assays, their efficacy in real-world applications is subject to various influencing mechanisms. In order to objectively evaluate the antibacterial activity of copper-based materials and provide precise guidance for their development and practical application, it is essential to regulate test conditions with targeted.

A new wear-resistant component system of copper-based composite materials: Modified sepiolite-complex ceramic powder

To balance mechanical strength, friction stability, and low wear, a novel wear-resistant component system: modified sepiolite-complex ceramic powder, was employed in copper-based composite materials, leading to the successful preparation of samples with outstanding mechanical and frictional performance. The material exhibits high friction stability, low wear, and the simultaneous occurrence of a high friction coefficient, which may be caused by uniquely composed dual friction film. The external layer of the friction film consists of Cu2O, Fe2O3, and CaO metal-films, while the internal layer consists of B2O3 film, graphite, and sepiolite. Additionally, modified sepiolite (composed of sepiolite, CaCO3 and enstatite) plays a dual role in wear resistance and high-temperature lubrication. Furthermore, the Gradient Boosting Decision Tree (Gbdt) model was found to provide more meaningful guidance for predicting friction coefficients.

Unraveling discriminative-hydrogen-activation over Cu-based catalysts for boosting nitroarenes hydrogenation: Crystal effect and mechanism insight

Copper is a crucial element in the field of catalysis. However, Cu-based catalysts exhibit lower redox properties and surface energy under mild conditions, which limit their electron transfer capacities and catalytic performance. In this study, the relationship investigation between the hydrogenation behavior of Cu-based catalysts and crystal phases showed that spherical Cu2O exhibited enhanced capacity for hydrogen activation, excellent catalytic activity and outstanding reusability in the selective reduction of various nitroarenes. At even 25 °C and 1 atm, the complete reduction of 4-nitrophenol by NaBH4 was achieved in 2.5 min over Cu2O, achieving a reaction rate constant (k) of 20.15 × 10−3 s−1, which was 4.8 and 15.2 times that of CuO and Cu catalysts. Detailed experimental and theoretical calculations revealed that the Cu+ sites in the antifluorite crystal phase of Cu2O are conducive to the adsorption of active H species, while the unique d–s orbital recombination provides more electrons to improve its hydrogenation performance. The results of this study can aid in the development of copper-based materials as advanced catalysts, thereby improving fine chemical production and pollution treatment processes.

In-situ surface enhanced Raman spectroscopy revealing the role of metal–organic frameworks on photocatalytic reaction selectivity on highly sensitive and durable Cu-CuBr substrate

Photocatalytic reactions using copper-based nanomaterials have emerged as a new paradigm in green technology. Selective photocatalysis is very important for improving energy utilization efficiency, and in order to directional improve catalytic selectivity, it is necessary to understand the mechanism of interfacial reactions at the molecular level. Therefore, a unique bifunctional Cu-CuBr substrate is first fabricated via an electrochemical method, which overcomes the instability of traditional copper-based materials and endows high surface-enhanced Raman spectroscopy (SERS) sensitivity and photocatalytic performance and can be stored stably for more than a year. Further modification of the surface with Metal-Organic Frameworks (MOFs) containing carboxyl functional groups can significantly tune the surface properties of the substrate. This increases the adsorption of cationic dyes to improve the SERS effect, and 10−10 M methylene blue can easily be detected with this substrate. Surprisingly, in-situ SERS monitoring of the interfacial photocatalytic dehalogenation reaction of aromatic halides through its intrinsic SERS effect reveal two competing selective reaction pathways, self-coupling and hydrogenation. Typically, the SERS spectra reveal that the latter's selectivity was greatly enhanced after MOFs modification, and the yield rate of the hydrogenated product increased from 27.6 % to 46.9 % (selectivity increased from 32.7 % to 51.5 %). This proves that the surface properties of catalysts, especially the affinity for reaction intermediates, can effectively regulate catalytic selectivity.

Synergistic effects of fabrication techniques and the interface structure on the tribological properties of reduced graphene oxide/CuCr composites

While the copper/graphite composite offers commendable anti-friction and wear resistance, it falls short in fulfilling the demands of specific applications such as special brushes, high-speed rail overhead conductors, and sliding contact materials. Due to its exceptional mechanical, electrical, frictional, and wear-resistant properties, reduced graphene oxide (RGO) is considered a promising reinforcement material for copper-based wear-resistant materials. In this study, we synthesized RGO/CuCr composites using flake powder metallurgy and spark plasma sintering (SPS) techniques. The formation and evolution of lubricative films on the RGO/CuCr composite's worn surface were scrutinized, alongside the effects of reinforcement concentration and frictional load on friction-wear characteristics. Notably, increasing the RGO content from 0 to 4.0 vol% led to a reduction in the average friction coefficient from 0.81 to a minimum of 0.314, concurrent with a 62.4% drop in the wear rate. The overall enhancement in properties can largely be credited to the optimized interfacial adhesion between RGO and the CuCr matrix facilitated by in-situ interfacial carbides and the inherent self-lubrication capability of RGO. A developed physical model showcased a direct relationship between the friction coefficient of RGO/CuCr composites and the experimental load, offering a quantitative interpretation of the load's influence on the composite's friction coefficient. Therefore, this research paves a theoretical and practical pathway to engineer high-performing RGO-reinforced copper matrix composites for wear-resistant applications.

Design and fabrication of superhydrophobic photothermal coating on copper mesh and its applications on anti-corrosion, anti-icing and oil-water separation

The discharge of oily wastewater, the leakage of high-viscosity oils as well as corrosion and freezing of metal equipment surfaces have not only caused large economic losses, but also posed a major threat to environmental safety, which has sparked international concern. Superhydrophobic materials inspired by lotus leaves were great options for addressing these problems because of their special surface wettability. In this study, a simple hydrothermal approach (in-situ CuxS growth) and post-modification technique (stearic acid modification) was used to create a superhydrophobic-superoleophilic-photothermal (SHPB-SOPI-PT) coating on the surface of copper mesh. The SHPB-SOPI-PT coating was found to be good self-cleaning ability, mechanical durability (ultrasonic vibration, sandpaper abrasion, tape peeling, surface bending), chemical stability (pH = 1, pH = 13, and 3.5 wt% NaCl solution) and environmental adaptability (thermal, UV aging, acid rain and long-term unprotected storage). Meanwhile, the SHPB-SOPI-PT coating offered ideal corrosion protection (η = 97.7 %), passive anti-icing performance (1800 % longer freezing time), oil-water separation performance. More importantly, the SHPB-SOPI-PT coating also provided active de-icing and high-efficient separation of high viscosity oils due to the photothermal effect of CuxS. This method of constructing multifunctional coating was easy to produce and utilize on a large scale, which could expand the serviceable range of copper-based materials.

Copper peroxide and cisplatin co-loaded silica nanoparticles-based trinity strategy for cooperative cuproptosis/chemo/chemodynamic cancer therapy

Cuproptosis, a novel identified regulated cell death modality, makes a great difference to known death mechanisms and offers encouraging opportunities for copper-based materials for cancer treatment. However, its capacity for killing cancer cells is restricted by the lack of tumor selectivity. Tumor microenvironment, characterized by hypoxia, acidosis and excessive glutathione (GSH), is another limitation of cuproptosis and cisplatin-based chemotherapy. Herein, a newly copper/cisplatin hybrid silica nanoplatform, denoted as CuO2/DDP@SiO2, is developed as copper metabolic disrupter and chemotherapy/chemodynamic therapy amplifier for synergistic cuproptosis/chemo/chemodynamic anticancer therapy. We imbued CuO2 with the rever-TME properties: O2 generation, increased pH value and oxidation of intracellular GSH. The depletion of GSH sensitizes cancer cells to the CuO2/DDP@SiO2-mediated cuproptosis, causing aggregation of lipoylated mitochondrial proteins, the target of copper-induced toxicity. In vitro experiments shown that reduced binding of GSH to cisplatin could largely increase intracellular cisplatin concentration. Simultaneously, CuO2 could significantly downregulate multidrug resistance-associated protein 2 (MRP2) by O2-dependent hypoxia-inducible factor 1 (HIF-1) inactivation. Thus, the entire cisplatin-efflux pathway was blocked, and the antitumor effect of cisplatin was enhanced both in vitro and in vivo. Collectively, both chemotherapy/chemodynamic therapy and cuproptosis were enhanced by TME modulation. Therefore, CuO2/DDP@SiO2 nanoparticle provides a new therapeutic modality paradigm to boost cuproptosis/chemo/chemodynamic therapies.

Recent Progress on Quaternary Copper-based Diamondoid Thermoelectric Materials

Recent Progress on Quaternary Copper-based Diamondoid Thermoelectric Materials

Evaluating the influence of novel charge transport materials on the photovoltaic properties of MASnI3 solar cells through SCAPS-1D modelling.

In recent decades, substantial advancements have been made in photovoltaic technologies, leading to impressive power conversion efficiencies (PCE) exceeding 25% in perovskite solar cells (PSCs). Tin-based perovskite materials, characterized by their low band gap (1.3 eV), exceptional optical absorption and high carrier mobility, have emerged as promising absorber layers in PSCs. Achieving high performance and stability in PSCs critically depends on the careful selection of suitable charge transport layers (CTLs). This research investigates the effects of five copper-based hole transport materials and two carbon-based electron transport materials in combination with methyl ammonium tin iodide (MASnI3) through numerical modelling in SCAPS-1D. The carbon-based CTLs exhibit excellent thermal conductivity and mechanical strength, while the copper-based CTLs demonstrate high electrical conductivity. The study comprehensively analyses the influence of these CTLs on PSC performance, including band alignment, quantum efficiency, thickness, doping concentration, defects and thermal stability. Furthermore, a comparative analysis is conducted on PSC structures employing both p-i-n and n-i-p configurations. The highest-performing PSCs are observed in the inverted structures of CuSCN/MASnI3/C60 and CuAlO2/MASnI3/C60, achieving PCE of 23.48% and 25.18%, respectively. Notably, the planar structures of Cu2O/MASnI3/C60 and CuSbS2/MASnI3/C60 also exhibit substantial PCE, reaching 20.67% and 20.70%, respectively.

Ultrasound-assisted nucleation and growth of hydroxyl-protected and ligand-free Cs3Cu2X5 nanocrystals with bright luminescence.

The commercial applications of lead halide perovskites are hindered by their negative environmental impact and inherent instability. Consequently, developing environmentally friendly copper-based perovskite materials is crucial for future solid-state lighting and display applications. In this study, an ultrafast high-power ultrasonic synthesis strategy was utilized to achieve uniform nucleation and growth of Cs3Cu2X5 (X = Cl, Br, I) nanocrystals (NCs) that possess remarkable luminescence properties, hydroxyl protection, and ligand-free characteristics. These Cs3Cu2X5 NCs exhibited a tunable spectral range spanning from 446 to 525 nm, accompanied by photoluminescence quantum yields (PLQYs) varying from 0.2% to 79.2%. The spectral attributes of the NCs were effectively controlled by modulating the halide type and composition. It is worth noting that density functional theory (DFT) calculations offer valuable insights into the synthesis of NCs and the selection of suitable alcohol solvents. Moreover, we successfully fabricated an efficient and stable white light-emitting diode (WLED) with a high luminous efficiency of 23 lm W-1 and CIE color coordinates of (0.3266, 0.3487). Our work provides a new strategy to synthesize Cs3Cu2X5 NCs and holds promise for their potential application in display and lighting devices.

Hydrogen-bond engineering induced ferroelastic phase transition in copper-based organic-inorganic hybrid thermochromic materials.

We report two organic-inorganic hybrid thermochromic crystals, [(2A5MP)2CuCl4] (2A5MP = 2-amino-5-methylpyridine) (1) and [(2A4MP)2CuCl4] (2A4MP = 2-amino-4-methylpyridine) (2). Through hydrogen bond engineering optimization, the ferroelastic material 2 undergoes an isomorphic phase transition with a large thermal hysteresis of 36 K at 397 K/361 K.

A small library of copper-based metallenes with superior antibacterial activity.

We report the preparation of a small library of copper-based metallenes, such as copperene, brassene, bronzene, cupronickelene and AlCuZn trimetallene, via a cryo-pretreatment assisted liquid phase exfoliation method. To the best of our knowledge, these nanosheets may represent a new category of metallenes. Benefiting from mixed-valence copper-induced oxidative stress and cleavage effects of layered structures, the obtained metallenes could efficiently eliminate drug-resistant bacteria even at a concentration as low as 1 μg mL-1. Due to the alloy engineering-induced change in the release rate of metal ions, the CuZn metallene exhibited a much better antibacterial ability than the other metallenes and three clinical antibiotics. We believe this work not only expands the category of emerging 2D metallenes, but also proposes a strategy combining 2D and alloy engineering to improve the antibacterial properties of copper-based materials.

Recent advances in copper-based materials for robust lithium polysulfides adsorption and catalytic conversion

Lithium–sulfur (Li–S) batteries are considered one of the most promising next-generation secondary batteries owing to their ultrahigh theoretical energy density. However, practical applications are hindered by the shuttle effect of soluble lithium polysulfides (LiPSs) and sluggish redox kinetics, which result in low active material utilization and poor cycling stability. Various copper-based materials have been used to inhibit the shuttle effect of LiPSs, owing to the strong anchoring effect caused by the lithiophilic/sulphilic sites and the accelerated conversion kinetics caused by excellent catalytic activity. This study briefly introduces the working principles of Li–S batteries, followed by a summary of the synthetic methods for copper-based materials. Moreover, the recent research progress in the utilization of various copper-based materials in cathodes and separators of Li–S batteries, including copper oxides, copper sulfides, copper phosphides, copper selenides, copper-based metal-organic frameworks (MOFs), and copper single-atom, are systematically summarized. Subsequently, three strategies to improve the electrochemical performance of copper-based materials through defect engineering, morphology regulation, and synergistic effect of different components are presented. Finally, our perspectives on the future development of copper-based materials are presented, highlighting the major challenges in the rational design and synthesis of high-performance Li–S batteries.

Research on the Morphology of the Working Surfaces of Contacts Used in Starters in the Agro-Industrial Sector.

The operational suitability of electromagnetic starters equipped with experimental contacts has been substantiated within their use in electrical installations of the agro-industrial sector, which may be affected by the environments containing aggressive components. Tests on commutation wear resistance and investigations on arc erosion of the series-produced contact parts of such starters as PML-1100O4, PML-2100O4 (versions A and B; contact material-CpH-90, CpM-0,2 + M1, KMK-A10m, respectively) and PML-1100O4 starter with the experimental copper-based contact parts (Cu + Nb + Zr + Y2O3; Cu + Mo + MoO3 + C + Ni; Cu + Cr + TiB2 + Nb + C + Zr) have been conducted. The influence of energy parameters of a commutated circuit on the value of electro-erosion wear, the morphology of the working surfaces of contacts and contact resistance have been determined. Investigation results have been obtained by conducting a set of tests on electromagnetic starters at the experimental plant that simulates the operating conditions of the AC-3 application category. The impact of the electric arc of alternative current on the arc erosion of silver-based and copper-based contact materials have been determined by using a scanning electron microscope Cambridge Stereoscan S4-10 equipped with an attachment for X-ray spectroscopic analysis, Link System-290 and an X-ray microanalyzer Camebax SX-50 (CAMECA, Gennevilliers, France). A metallographic analysis of the contact surfaces has been conducted, which contributed to the determination of the patterns of erosive destruction of bridging contacts based on Ag and Cu. Evolution of the eroded morphology of contacts and the surface components of electrical contacts under the influence of an arc have been characterized. In addition, contact mass loss and the dependence of contact resistance have been studied. When manufacturing the experimental contacts, it is possible to abandon the use of silver, which is significantly cost saving, and not to use dangerous contact additives that are hazardous to the environment and people's health.

Fast and Facile Microwave Synthesis of Cubic CuFe2O4 Nanoparticles for Electrochemical CO2 Reduction

Electrochemical CO2 reduction is a promising strategy for the sustainable synthesis of carbon-based chemicals or fuels such as CO, or CH4.[1] Copper-based materials are of special interest due to their broad substrate scope. While copper itself is the first known metal catalyst able to directly yield CH4, CO, methanol, or C2+ products such as ethanol can also be obtained, e.g. from oxide derived catalysts.[2][3] Another interesting copper oxide is the spinel CuFe2O4, due to its versatile electronic and magnetic properties. Those can be tuned via variations in the cation distribution between octahedral and tetrahedral sites.[4] Changes in the cation distribution, or degree of inversion, can additionally lead to a structural transformation between the cubic and tetragonal form, due to the strong Jahn-Teller effect of Cu2+. Both degree of inversion and structure are strongly dependant on the synthesis conditions.[4]In this contribution we introduce a fast microwave-assisted solvothermal synthesis of cubic CuFe2O4. Very short synthesis times of 1 min and low temperatures of 120 °C in ethylene-glycol/water mixtures could be realised, without a loss of phase-purity and no necessity for subsequent thermal treatment.[5] The degree of inversion was found to decrease with increasing synthesis time, whereas the particle size and crystallinity was almost independent of the synthesis conditions. The influence of the synthesis conditions – and thus material properties – on the activity in electrochemical CO2 reduction to CO in 0.1 M KHCO3 was investigated. The best activity was obtained for CuFe2O4 with an intermediate degree of inversion of approx. 0.75, together with a large crystallite size and micro-strain. Since hydrogen was produced as the only side-product, CuFe2O4 can be an interesting candidate for the production of syngas.

Aqueous Solution-Gel Deposition of Copper-Based Photo-Electrodes for Multipurpose Photo-Electrochemical Systems

Efficient valorization of solar energy is expected to contribute significantly to a sustainable supply of energy and fuel sources, as well as the reduction of atmospheric pollution. To this end, photo-electrochemical systems show encouraging potential by converting light into chemical energy. These devices rely on semiconducting photoanodes and/or -cathodes that absorb light efficiently and generate electron-hole pairs with sufficient energy for initiating redox reactions. Several copper-based oxides exhibit appropriate band edges for both photo-electrochemical water splitting and CO2 reduction [1]. This, in combination with their bandgap values, low toxicity, and earth-abundance, has recently increased the attention for copper-based photo-electrodes for multipurpose photo-electrochemical systems. Substantial photocorrosion of CuO and Cu2O is the main issue restricting their application as functional photo-electrodes. In contrast, copper-based ternary oxides are found to be significantly less susceptible to photocorrosion. The citrate-based aqueous solution-gel method has proven to be a versatile approach for the formulation of stable aqueous metal ion precursor solutions, and the subsequent synthesis of (doped) multi-metal oxides by this method has been demonstrated numerously. [2,3] Still, due to the flexible redox chemistry of copper, the solution-gel synthesis of phase-pure copper-based ternary oxides remains challenging. This work describes the synthesis of copper-based photo-electrode materials by focusing on copper ferrite (CFO), copper tungstate (CWO), copper niobate (CNO), and copper bismuth oxide (CBO). The formulation of the respective precursor solutions is described, and their thermal decomposition is investigated. Thin-film photo-electrodes are deposited on transparent conductive substrates by spin coating. The phase purity of the resulting copper-based oxides is determined by X-ray diffraction and Raman spectroscopy. Using UV-Vis spectroscopy, the optical bandgap of the oxide semiconductors is calculated. Furthermore, the photo-electrodes are subjected to linear sweep voltammetry in dark and under illumination to evaluate their photo-electrochemical performance. [1] Wang et al. “Insights into the development of Cu-based photocathodes for carbon dioxide conversion” Green Chem. (2021) 23, 3207[2] Van den Rul et al. “Aqueous Solution-Based Synthesis of Nanostructured Metal Oxides” in “Handbook of Nanoceramics and Their Based Nanodevices” (2009) Ed. T-Y Tseng and H. S. Nalwa[3] Marchal et al. “Precursor Design Strategies for the Low-Temperature Synthesis of Functional Oxides: It’s All in the Chemistry” Chem. Eur. J. (2020) 26, 9070 This work has received funding from the Belgian federal government through the ETF project T-REX and from the VLAIO network “Flanders Innovation & Entrepreneurship” through the Catalisti Moonshot project SYN-CAT. Part of this work was financially supported by TNO in the framework of the “Energy Conversion and Storage” Early Research Program.

Optimizing band gap, electron affinity, & carrier mobility for improved performance of formamidinium lead tri-iodide perovskite solar cells

Perovskite solar cells (PSC) offer the advantage of tunable nature, allowing for the adjustment of cell design parameters to enhance performance. This study focuses on the crucial role of tuning band gap, electron affinity, carrier mobility, thickness, and doping in improving the performance of Formamidinium lead tri-iodide (FAPbI3) PSCs. The PSC structure incorporates two carbon allotropes, PCBM and C60, as electron transport layers (ETLs), in conjunction with copper-based materials (CuAlO2, CuI, Cu2O) as hole transport layers (HTLs) to leverage their exceptional thermal and electrical conductivity. Using SCAPS-1D, six distinct PSC structures with various combinations of ETLs and HTLs are analyzed. The investigations employ continuity and Poisson equations to explore the impact of the design parameters on PSC performance. Additionally, a comprehensive assessment is conducted to evaluate energy band alignment, band offset, electric field distribution, recombination and defects. Through meticulous investigations, the study identifies the optimal combination of Cu-HTL and C-ETL that yields exceptional PSC performance. Specifically, employing CuAlO2 as the HTL and PCBM as the ETL achieves remarkable results, with a high PCE of 26.49 %, a Voc of 1.25 V, a Jsc of 23.51 mA/cm2, and an FF of 89.49 %.