bluuebunny/crossref_metadata_2025_split huggingface dataset:
Formation of Porous Anodic Aluminum Oxide with a Thick Barrier Layer and High Porosity By Anodizing Aluminum in Sodium Metaborate Solutions
Authors: Iwai Mana , Kikuchi Tatsuya , Kitano Sho , Fushimi Koji , Habazaki Hiroki 
Published: December 2024

Porous-type anodic aluminum oxide (AAO) can be fabricated by anodizing an aluminum substrate in suitable aqueous electrolyte solutions. The morphological properties of the AAO, including the interpore distance, pore size, and thickness, are controlled by various operating parameters, such as the applied voltage, temperature, and anodizing time. However, their structural controllability is limited because the fabrication process is based on the typical anodizing method in acidic solutions. The authors previously found that AAO with a novel nanostructure can be fabricated by anodizing using alkaline ammonium carbonate and sodium tetraborate. Therefore, further research on aluminum anodizing using various alkaline solutions opens the possibility of novel AAO fabrication. Herein, we report the fabrication of a new AAO film, which is different from the typical nanostructure formed in acidic solutions, by anodizing in alkaline sodium metaborate (NaBO2).
Electropolished aluminum specimens were anodized at a constant voltage of 0.1-200 V in a 0.3 M sodium metaborate electrolyte solution (pH = 11.9) at 278 K. The surface and cross-section of the anodized specimens were examined by field-emission scanning electron microscopy (FE-SEM), atomic force microscopy (AFM), and Cs-corrected scanning transmission electron microscopy (STEM). The elemental depth profile of the specimens was analyzed by radiofrequency glow discharge optical emission spectroscopy (rf-GDOES).
An AAO film consisting of an outer porous layer and an inner hemispherical cap barrier layer, similar to typical AAO films formed in acidic solutions, was formed at lower voltages below 50 V. In contrast, an AAO film with a flat barrier layer, deviating from the typical Keller-Hunter-Robinson model, was obtained at voltages above 100 V. The porosities of the porous layer obtained above 20 V were almost constant (0.16-0.19). However, there was a significant increase in the porosity at lower voltages (0.93 at 0.1 V). The AAO formed in sodium metaborate was composed of amorphous, anion-free aluminum oxide.

Figure 1
Multiscale Safety Evaluation of Sodium-Ion: Safer Than Lithium-Ion?
Authors: Bates Alex Martin , Torres-Castro Loraine , Langendorf Jill , Johnson Nathan Brenner , Kustas Jessica , Rodriguez Mark , Rich Chaz 
Published: December 2024

Sodium-ion technology is a promising alternative to lithium-ion cells due to lower materials cost and similar performance characteristics. The transition to commercialization of room temperature, rechargeable sodium-ion batteries is ramping up, with several products already on the market. However, the safety characteristics of sodium-ion cells are not well known. This talk will address the gap by presenting findings from safety testing conducted on commercially available 18650 sodium-ion cells composed of a NaNiMnFeO cathode and a hard carbon anode.
Safety testing included a range of temperature, mechanical, and electrical abuse conditions, including nail penetration, crush test, external short circuit, overcharging, and overtemperature. Furthermore, the heat flows associated with materials-level degradation and subsequent reactions were characterized through techniques including differential scanning calorimetry and thermogravimetric analysis. The thermal characterization was used to delineate the underlying reaction pathways and support explanations of the, sometimes, dramatic outcomes observed in 18650 safety testing.
Sandia National Laboratories is a multimission laboratory managed and operated by National Technology and Engineering Solutions of Sandia LLC, a wholly owned subsidiary of Honeywell International Inc. for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.
Green Corrosion Inhibitor Based on Triazoles for Steel Reinforcement in Concrete Elements
Authors: Troconis de Rincon Oladis Marici , Escribano Jorge , Dacio Loreto , Alvarez Leonardo X. , Rincon Troconis Brendy Carolina 
Published: December 2024

Reinforced concrete plays a crucial role in the construction of structures around the world. But these structures are frequently subject to corrosive conditions, which can affect their structural performance, shorten their useful life and cause failures with catastrophic consequences. The high pH of concrete stabilizes the formation of a passive oxide layer on the rebar. However, this protective film can be compromised if the threshold chloride concentration on the surface of the steel bar is reached, which can occur as the structure ages while exposed to chloride-containing environments. Considering the growing environmental concerns about the effectiveness of existing corrosion control methods, this study investigates the potential of 1-benzyl-4-phenyl-1H-1,2,3-triazole (BPT), an organic compound synthesized with an ecological and sustainable method, as a corrosion inhibitor for steel reinforcement in concrete.
The objective of this work is to evaluate the corrosion inhibition of BPT to protect reinforcing steel in simulated marine environments. BPT was initially evaluated in synthetic pore solution (SPS/8.33 g/L NaOH + 23.3 g/L KOH + 2.0 g/L Ca(OH)2, pH: 13.6) in presence of chlorides to determine its optimal concentration. Electrochemical techniques were used following the ASTM G180 standard and include: electrochemical impedance spectroscopy (EIS), linear polarization resistance, and cyclic anodic potentiodynamic polarization. Then BPT-containing mortar specimens were tested under accelerated exposure by simulated seawater spray (modified ISO 11474) using electrochemical techniques. Likewise, the physical-mechanical properties of the mortar were evaluated. The results demonstrate that BPT provides different mechanisms to inhibit rebar corrosion, including adsorption to steel (EIS results) and reduced mortar permeability (resistivity and capillary sorption tests). In addition, BPT increases the compressive strength of concrete.
This work highlights the effectiveness of a green corrosion control technology to extend the life of critical reinforced concrete structures, supporting a sustainable future.
Coupling of Offshore & Offgrid Wind Power & PtX-Processes, Supported by a MWh-Scale Battery for Safety, Stand-By Energy & PtX-Process Support
Authors: Peters Willi , Mariappan Sakthivel , Drillet Jean-Francois 
Published: December 2024

A promising path for long-term energy storage is the production of e-fuels via Power-to-X processes (PtX). “Green” hydrogen is generated via water electrolysis and serves as a basic feedstock for the synthesis of chemicals and fuels such as methane, ammonia, methanol and other synthetic hydrocarbons. These fuels offer the advantage of an existing storage infrastructure and furthermore allow for the coupling of all energy sectors, e.g. transportation, industry, heating etc., to wind and solar power.
Within the German flagship project
H2Mare
the consortium
PtX-Wind
is developing experimental, research and production offshore & off-grid PtX platforms that are directly coupled to wind power. In case of wind calm, storm, maintenance and system failures, a CO2-free, electrochemical storage unit should provide enough energy for stand-by & emergency operation of electrolysis & PtX plants as well as for vital platform instruments. Furthermore, the battery should, if economically viable, support the PtX-plant operation due to wind power variability.
Together with industrial & academic partners the main task at the DFI focuses on dimensioning a battery storage system for a research PtX platform, comprising a 5 MW electrolysis unit & a 1.7 MW PtX-platform. Therefore, suitable battery technologies such as PbAc, PbGel, LFP, NMC and supercapacitors are being tested to verify battery properties provided by the manufacturer. The performance of some pre-selected candidates at module level (0.5 kWh, PbAc, PbGel, LFP) will be presented. Combined with a year-round wind farm power profile, the battery properties were implemented into the software “System Advisor Model (SAM)”1 and a minimal battery size (0.52 MWh) for the stand-by/emergency operation (0.47 MW) was determined, based on the 1C rate capability of state-of-the-art LFP batteries. Economic considerations on stand-by battery size will be presented, as well as a battery size for the improvement of PtX-plant productivity.
Literature: [1] Open source software website: https://sam.nrel.gov/download.html;
Laser Molecular Beam Deposition of Halide Perovskite Solar Cell Materials: The Correlation between Preparation Conditions and Film Properties
Authors: Matsuki Nobuyuki , Sato Tomomasa 
Published: December 2024

Halide perovskite solar cells (PSCs) have now developed to achieve conversion efficiencies of more than 26% [1], and the durability time for which PSCs do not suffer a loss in conversion efficiency has reached over 2300 hours [2]. The conversion efficiency of PSCs based on tin (Sn), which is lead-free, has also exceeded 14% and is improving further [3]. It is possible to find the key to improving various physical properties of PSCs by artificially controlling the atomic-level microscopic construction of the crystal structure and interfaces. From this perspective, we have applied laser molecular beam deposition (LMBD), which enables deposition control of organic and inorganic materials at the atomic level, to develop PSCs-related materials [4]. In this study, we investigate the correlation between the laser conditions and the physical properties of the films deposited by continuous infrared (IR) or ultraviolet (UV) pulsed laser deposition of PCSs-related materials.
LMBD of PCSs-related materials were conducted using the following process: on a synthetic quartz substrate placed in an ultra-high vacuum chamber a halide perovskite film was formed at room temperature or ~150 ºC by irradiating a semiconductor continuous infrared laser (wavelength: 808 nm) or an Nd:YAG Q-Switch quadruple wavelength UV pulsed laser (wavelength: 266 nm, 10 Hz) onto PbI2 and MAI, or CsPbBr3 material targets. The optical, crystalline, and electrical properties of the films were then characterized by UV-visible spectroscopy, X-ray diffraction (XRD), and I-V measurements, respectively.
Figure 1 shows the dependence of deposition rate on laser power density P
D for LMBD of CsPbBr3. Interestingly, the deposition rate reaches a maximum at approximately 5 W/cm2 with increasing P
D, before decreasing rapidly above this value. This suggests that the effective deposition rate is reduced due to the etching of the deposited surface by the ion bombardment of the laser ablation. Figure 2 illustrates the results of XRD peak intensity normalized by film thickness (red circle) and crystallite diameter (open diamond) estimated from the diffraction peak of CsPbBr3 (220) plotted as a function of P
D. This indicates that the orientation of CsPbBr3 (220) becomes more aligned with increasing P
D.
In this presentation, we will report details of the correlation between LMBD conditions and various properties of PCSs-related materials.

References

[1] H. Chen et al., Nature
613, 676 (2023).
[2] L. Xu et al., Small
19, 2207226 (2023).
[3] J. Zhao et al., Adv. Ener. Mater.
13, 2204233 (2023).
[4] K. Kawashima et al., Sci. Technol. Adv. Mater.
18, 307 (2017).

Figure 1
Exploration of New Lead-Free Organic-Inorganic Metal Halides for Photovoltaic Applications
Authors: Hirano Yuri , Klee Pia , Cordes David Bradford , Slawin Alexandra Martha Zoya , Payne Julia Louise 
Published: December 2024

Organic-inorganic metal halides exhibit excellent compositional flexibility. When an ideal perovskite structure is adopted, they have the general formula ABX3, where A+
can be an organic or inorganic cation, B
2+ is an inorganic cation and X-
is a halide anion. By changing the A, B, and X sites, the crystal structure, electronic structure and band gap can be tuned for a variety of optoelectronic applications, such as solar cells, light-emitting diodes, and photodetectors. However, the toxicity of lead in these materials is undesirable for practical applications. Thus, lead-free organic-inorganic metal halides are being extensively explored.
In this study, we explored organic-inorganic metal halides based on the meta-xylylenediammonium (MXD) cation and a variety of trivalent metals. MXD contains an aromatic ring and is expected to improve stability in ambient conditions [1]. We succeeded in synthesising single crystals via a solution-based approach [2][3]. Based on single crystal X-ray diffraction, the structures were found to consist of isolated octahedra (or groups of octahedra) and are commonly referred to as zero-dimensional materials. We also investigated the tunability of the band gap due to halide substitution. As shown in Fig.1, the colours of samples change depending on the halogen content. Also, diffuse reflectance UV-visible spectroscopy clearly shows that the optical band gap is tunable. Here, we show the results of single crystal and powder diffraction, photoluminescence, scanning electron microscopy and ambient pressure photoemission spectroscopy to link the structure and optical properties of these new materials.

References

[1] I. Smith, E. Hoke, D. Solis-Ibarra, M. McGehee and H. Karunadasa, Angew. Chem. Int. Edi., 2014, 53, 11232-11235
[2] P. S. Klee, Y. Hirano, D. B. Cordes, A. M. Z. Slawin and J. L. Payne., Cryst. Growth. Des. 2022, 22, 6, 3815–3823
[3] Y. Hirano and J. L. Payne, in preparation, 2024

Figure 1
(Invited) Advanced Electrodes and Carrier Transport Layers for Flexible/ Foldable Photovoltaic Devices and Modules
Authors: Choy Wallace C.H. 
Published: December 2024

While the power conversion efficiency (PCE) of single-junction perovskite solar cells (PSCs) has increased to over 26%, there are some challenges to achieving flexible large-area PSCs with good long-term stability for practical applications. In this work, we demonstrate a self-assembled gradient Ti3C2Tx MXene incorporated PEDOT:PSS HTL for promoting flexible large-area PSCs by establishing half-caramelization-based glucose-induced MXene redistribution. Through this process, the Ti3C2Tx MXene nanosheets are spontaneously dispersed and redistributed at the top region of HTL to form the unique gradient distribution structure composed of MXene:Glucose:PEDOT:PSS (MG-PEDOT). Our results show that the MG-PEDOT HTL not only offers favorable energy level alignment and efficient charge extraction, but also improves the film quality of the perovskite layer featuring enlarged grain size, lower trap density, and longer carrier lifetime. Consequently, the power conversion efficiency (PCE) of the flexible device based on MG-PEDOT HTL is increased by 36% compared to that of pristine PEDOT:PSS HTL. Meanwhile, the flexible perovskite solar minimodule (15 cm2 area) using MG-PEDOT HTL achieves a PCE of 17.06%. The encapsulated modules show remarkable long-term storage stability at 85degC in ambient air (~90% efficiency retention after 1200 hours) and enhanced operational lifetime (~90% efficiency retention after 200 hours) [1]. With the adoption of the flexible transparent electrodes [2-5] and the introduction of a new modification on the perovskite active layer, the power-per-weight of our flexible PSCs reaches about 8 W/g while the power-per-weight of PEN/ITO-based control about 1-1.5 W/g. The work contributes to the development of flexible PSCs for practical applications.
[1] R. Zhang, W.C.H. Choy*, et al, Adv. Funct. Mater., 33, 2210063, 2023.
[2] J. Kim, W.C.H. Choy*, et al, Adv. Energy Mater., 10, 1903919, 2020.
[3] X. He, W. C. H. Choy*, et al, Adv. Funct. Mater, 2010764, 2021.
[4] J. Zheng, W.C.H. Choy*, et al, Energy & Environ. Sci., 16, 3770 2023.
[5] J.J. Kim, W.C.H. Choy*, et al, Nature Comm. DOI:10.1038/s41467-024-46243-6.
Electrodeposition of Tin Dioxide Films for Photoelectrochemical Water Splitting Applications
Authors: Płachta Małgorzata , Syrek Karolina , Kozieł Marcin , Zaraska Leszek 
Published: December 2024

To address the rising pollution issues and the eventual depletion of non-renewable energy sources there is a growing focus on discovering clean, reliable, and sustainable energy alternatives. Tin dioxide, due to its conductivity, chemical stability, and wide band gap, is considered a promising material for various energy-related applications [1]. Among these, photoelectrochemical water splitting stands out as a highly promising technique for converting solar energy into storable chemical energy in the form of hydrogen. This approach can offer a renewable pathway for generating clean fuel. Multiple methods have been employed to produce tin dioxide films, including spray pyrolysis, sol–gel processes, thermal plasma deposition, pulsed-laser deposition, and electrodeposition [2]. Within this range of techniques, electrodeposition stands out for its simplicity and cost-effectiveness making it a prime candidate for large-scale production [3]. Therefore, the aim of the research was a comprehensive study of the electrodeposition of SnO2 films with a focus on their application in photoelectrochemical water splitting systems.
Nanostructured SnO2 films were successfully obtained by electrodeposition using various process conditions in an electrolyte containing tin(II) chloride dihydrate and nitric acid. The study explored the impact of deposition temperature and duration on the morphology, composition, and properties of the materials. Moreover, the influence of post-treatment variables including annealing time, temperature, and atmospheric conditions was thoroughly investigated. The crystal structure of the samples was analyzed using X-ray diffraction (XRD), while their morphology was examined via scanning electron microscopy (SEM). Furthermore, their photoelectrochemical activity was verified by recording the photocurrents under illumination with both monochromatic and simulated solar light. As a result, it was found that the surface morphology, thickness and photoelectrochemical performance of the deposited SnO2 layers are closely associated with the conditions employed during electrodeposition and post-treatment. Photoelectrochemical measurements demonstrated that the obtained tin dioxide films could possibly serve as electrodes in photoelectrochemical water splitting systems.

References

[1] Bhande, S. S., Taur, G. A., Shaikh, A. v., Joo, O. S., Sung, M. M., Mane, R. S., Ghule, A. v., & Han, S. H. (2012). Materials Letters, 79, 29–31.
[2] Rasouli, S. S., Najafisayar, P., & Hessam, R. (2023). Journal of Electronic Materials, 52(2), 896–906.
[3] Chen, X., Liang, J., Zhou, Z., Duan, H., Li, B., & Yang, Q. (2010). Materials Research Bulletin, 45(12), 2006–2011.

Acknowledgments

The authors acknowledge the financial support of the National Science Centre, Poland (Project no. 2018/30/E/ST5/00531)
Mass Transfer Limitation within Molecular Crowding Electrolyte Reorients Preferential (100) and (101) Texture for Dendrite-Free Zinc Metal Batteries
Authors: Wang Ziqing , Mullins Charles Buddie 
Published: December 2024

Aqueous zinc metal batteries have significant potential for use in portable devices and large-scale energy storage systems.1 Nevertheless, the growth of zinc dendrites and parasitic reactions worsen the stability of zinc metal electrodes.2 Therefore, strategies must be found to prevent zinc dendrites and other unfavorable reactions. In this study, we develop a macromolecular crowding electrolyte (MCE) by using polyvinylpyrrolidone (PVP) as a crowding agent. The strong hydrogen bonds between PVP and H2O molecules effectively suppress water activity, resulting in an enlarged electrochemical stability window and wide operating temperatures (−20 to 50 °C). Furthermore, the adsorption of PVP on the electrode surface enables progressive nucleation in the MCE, providing promising reversibility and long-term stability during the zinc plating/stripping process. More importantly, the deep insights into Zn deposition morphology and crystallinity illustrate the crystallographic reorientation into (100) and (101) facets, exhibiting vertical and uniform zinc deposition. Density functional theory calculations confirm that the preferential exposure of crystal facets is due to the adsorption of PVP molecules on the zinc metal surface. Furthermore, the electrochemical tests employing a rotating disc electrode and a three-electrode system demonstrate the notable mass transfer limitation in the MCE, which mainly contributes to the reoriented zinc deposition. The vertical arrangement of deposited zinc is more beneficial than parallel deposition to contact the ions outside the depletion region to overcome mass transfer limitation in the MCE. As a consequence, the preferential zinc deposition by exposing (100) and (101) facets enables Zn/Zn symmetric cells to cycle for over 3000 hours at different current densities. Additionally, Na0.33V2O5/Zn and MnO2/Zn full cell batteries in MCE exhibit favorable cycling stability and capacity across a wide temperature range from −20 to 50 °C. This work unveils a unique approach to reorienting the preferential crystallography of deposited zinc, providing a new direction to regulate and control the favorable orientation of zinc deposition.
References:

C. Li et al. Joule
2022, 6 (8), 1733-1738.

Q. Zhang et al. Angew. Chem. Int. Ed.
2020, 59 (32), 13180-13191.

Figure 1