{"title":"A High-Performance Fe,Co–N–C/MnCo2O4/Ti3C2 + Carbon Nanotube Catalyst toward Oxygen Reduction Reaction for Alkaline Anion Exchange Membrane Fuel Cells","authors":"Qixuan Wang, Yu Zhou, Guoqiang Deng, Kaining Shen and Chenxi Xu*, ","doi":"10.1021/acsaem.5c0070310.1021/acsaem.5c00703","DOIUrl":"https://doi.org/10.1021/acsaem.5c00703https://doi.org/10.1021/acsaem.5c00703","url":null,"abstract":"<p >The development of platinum group metal (PGM)-free catalysts with high activity and stability for efficient reactants is a way to reduce the cost of fuel cell stacks and systems. However, the slow chemical reaction kinetics and poor stability of such catalysts remain significant challenges for their widespread application. Here, we report a high-performance Fe,Co–N–C/MnCo<sub>2</sub>O<sub>4</sub>/Ti<sub>3</sub>C<sub>2</sub> + carbon nanotube (CNT) composite catalyst designed for the oxygen reduction reaction (ORR) in alkaline anion exchange membrane fuel cells (AEMFCs). The catalyst demonstrates exceptional ORR activity with a half-wave potential of 0.9145 V with only a 3.26% decrease after 10,000 cyclic voltammetry cycles. In AEMFC tests, the fuel cell performance based on the catalyst achieves a peak power density of 627 mW cm<sup>–2</sup> and 435 mW cm<sup>–2</sup> under H<sub>2</sub>–O<sub>2</sub> and H<sub>2</sub>–air, respectively. Furthermore, the catalyst exhibits remarkable durability with only a 20% decrease in power density after 200 h of continuous operation at 0.8 V. These results demonstrate that the catalyst is a promising material for fuel cell with high activity and stability.</p>","PeriodicalId":4,"journal":{"name":"ACS Applied Energy Materials","volume":"8 10","pages":"6670–6676 6670–6676"},"PeriodicalIF":5.4,"publicationDate":"2025-05-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144133847","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Unraveling the Catalytic Potential of 2D Nb2Se2C for Lithium Polysulfide Conversion: A DFT Study","authors":"Shrish Nath Upadhyay, and , Jayant K. Singh*, ","doi":"10.1021/acsaem.5c0085710.1021/acsaem.5c00857","DOIUrl":"https://doi.org/10.1021/acsaem.5c00857https://doi.org/10.1021/acsaem.5c00857","url":null,"abstract":"<p >The effective adsorption and conversion of sulfur species are essential to the performance of lithium–sulfur (Li–S) batteries. In this work, we designed a TMD-MXene-like material, Nb<sub>2</sub>Se<sub>2</sub>C, computationally by substituting the Nb layer of NbSe<sub>2</sub> with an Nb–C layer of Nb<sub>2</sub>C. We investigated its catalytic activity toward lithium polysulfide (LiPS) adsorption and conversion, and compared it with NbSe<sub>2</sub> and Nb<sub>2</sub>C using density functional theory (DFT) calculations. Adsorption energy analysis confirms that Nb<sub>2</sub>Se<sub>2</sub>C provides moderate and uniform binding across all LiPS species, ensuring stability and reversibility. In contrast, Nb<sub>2</sub>C binds too strongly, impeding LiPS mobility, while NbSe<sub>2</sub> shows weak adsorption for smaller polysulfides. Notably, Nb<sub>2</sub>Se<sub>2</sub>C maintains moderate adsorption across LiPS species (S<sub>8</sub>: −0.86 eV, Li<sub>2</sub>S<sub>6</sub>: −0.71 eV, Li<sub>2</sub>S: −1.51 eV), preventing polysulfide accumulation. The Bader charge analysis further confirms its superior charge transfer ability, with negligible sulfur loss (S<sub>8</sub>: −0.02|e| vs −1.33 |e|, for Nb<sub>2</sub>C). Gibbs free energy (Δ<i>G</i>) profiles indicate Nb<sub>2</sub>Se<sub>2</sub>C promotes a relatively facile sulfur reduction step, with favorable steps from S<sub>8</sub> to Li<sub>2</sub>S<sub>8</sub> (−2.55 eV) and minimal energy barriers, unlike Nb<sub>2</sub>C, which exhibits high resistance (S<sub>8</sub> → Li<sub>2</sub>S<sub>8</sub>: +1.24 eV). Additionally, AIMD simulations conducted at 500 K confirm that all three materials are thermally stable. Overall, Nb<sub>2</sub>Se<sub>2</sub>C proves to be an excellent cathode host, efficiently suppressing the polysulfide shuttle effect, improving sulfur utilization, and optimizing Li–S battery performance.</p>","PeriodicalId":4,"journal":{"name":"ACS Applied Energy Materials","volume":"8 10","pages":"6733–6745 6733–6745"},"PeriodicalIF":5.4,"publicationDate":"2025-05-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144133848","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Samuel Bertolini*, Dante F Franceschini, Cauê de S C Nogueira and Yutao Xing*,
{"title":"Cyclized Polyacrylonitrile (cPAN): A Critical Structure Review and Its Application as Active Cathode Material in Lithium Batteries","authors":"Samuel Bertolini*, Dante F Franceschini, Cauê de S C Nogueira and Yutao Xing*, ","doi":"10.1021/acsaem.5c0004010.1021/acsaem.5c00040","DOIUrl":"https://doi.org/10.1021/acsaem.5c00040https://doi.org/10.1021/acsaem.5c00040","url":null,"abstract":"<p >Cyclized polyacrylonitrile (cPAN) synthesis entails a multistep process encompassing cyclization, the elimination of NH<sub>3</sub>, H<sub>2</sub>, and hydrogen cyanate (HCN) gases, and graphitization. This process yields a semiconducting polymer that, when paired with sulfur, is used as cathode materials in Li–S batteries or, under elevated temperatures, produces carbon fibers. Within this framework, we comprehensively characterized cPAN obtained through varying temperature regimes. Utilizing scanning electron microscopy (SEM) and transmission electron microscopy (TEM), alongside infrared and Raman spectroscopies, we scrutinized the samples subjected to thermal treatment. Together, employing density functional theory (DFT), we investigated the potential reaction pathways implicated in the heat treatment of cPAN, while also investigating its viability as a cathode material through DFT calculations and electrochemical characterization using a pontetiostat. Our inquiry emphasizes pivotal insights concerning the structural nuances of cPAN, with a critical state of the structure commonly proposed in the literature. Finally, we assembled and characterized the cPAN as an active material for lithium batteries in a range between 0.2 and 4.6 V, inducing, at high voltage, overpotential reactions that modify the capacity of the cPAN. Thus, cPAN can be considered a material that can be used as anode and cathode material in lithium batteries, according to the electrochemical conditions.</p>","PeriodicalId":4,"journal":{"name":"ACS Applied Energy Materials","volume":"8 10","pages":"6364–6375 6364–6375"},"PeriodicalIF":5.4,"publicationDate":"2025-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsaem.5c00040","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144133790","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Camden Kitchen*, Volkan Erturk, Linhardt Ordelia, Abhishek Swaminathan and Seun Sangodoyin,
{"title":"Optimal Galvanic Cell Design for Powering Ingestible Devices in Varying Gastrointestinal Conditions","authors":"Camden Kitchen*, Volkan Erturk, Linhardt Ordelia, Abhishek Swaminathan and Seun Sangodoyin, ","doi":"10.1021/acsaem.5c0046310.1021/acsaem.5c00463","DOIUrl":"https://doi.org/10.1021/acsaem.5c00463https://doi.org/10.1021/acsaem.5c00463","url":null,"abstract":"<p >Energy harvesting using galvanic cells in the gastrointestinal (GI) tract can provide supplementary power and prolong the service life of ingestible devices. This paper explores the impact of electrode type, dimension, and varying gastrointestinal (GI) conditions on the performance of galvanic cells for powering ingestible devices. <i>In vitro</i> experiments were conducted with varying cathode and anode combinations in synthetic gastric fluid (SGF) under a load resistance sweep to measure the voltage of the galvanic cell. Eighteen tests assessed the peak power, energy capacity, and longevity of each electrode pair. Galvanic cell performance was also evaluated under simulated GI conditions, including varying pH, salt concentration, added foreign substances, and simulated intestinal conditions. Pt and Pd cathodes showed the highest peak power and energy capacity, while Mo was cost-effective for transient applications. Mg was optimal for short-term use, while Zn or the AZ31B Mg alloy were preferred for long-term applications. Energy generation decreased with increasing pH but improved with higher salt concentration. Large substances in gastric fluid hindered performance, and energy generation in intestinal fluids was less efficient. Larger cathode-to-anode size ratios increased efficiency, while larger anodes provided greater longevity. This study successfully characterized the effects of electrode combinations, GI conditions, and dimensions on the performance of galvanic cells, offering insight into the design of supplementary power sources for ingestible devices. These findings aid the development of galvanic cells for short-term and long-term applications in ingestible devices.</p>","PeriodicalId":4,"journal":{"name":"ACS Applied Energy Materials","volume":"8 10","pages":"6545–6556 6545–6556"},"PeriodicalIF":5.4,"publicationDate":"2025-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsaem.5c00463","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144133786","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Yuki Fujii, Haruka Yoshimo, Ryoichi Tatara, Zachary T. Gossage, Aoto Koizumi and Shinichi Komaba*,
{"title":"Lignin as an Inexpensive, High-Yield Precursor to Hard Carbon Active Materials for Sodium-Ion Batteries","authors":"Yuki Fujii, Haruka Yoshimo, Ryoichi Tatara, Zachary T. Gossage, Aoto Koizumi and Shinichi Komaba*, ","doi":"10.1021/acsaem.5c0049110.1021/acsaem.5c00491","DOIUrl":"https://doi.org/10.1021/acsaem.5c00491https://doi.org/10.1021/acsaem.5c00491","url":null,"abstract":"<p >Currently, hard carbon (HC) is the most promising negative electrode material for sodium-ion batteries due to its low redox potential, high-rate performance, and good reversible capacity. However, the synthesis procedure and choice of precursors are known to strongly impact the resulting HC performance. Herein, we focus on lignin as an abundant, high-yield precursor for the synthesis of HC. Using a three-step procedure involving preheating, washing, and postheating steps, we observed major improvement in the performance (ca. 340 mAh g<sup>–1</sup>) and with high HC yields of ∼40%. We found that the preheating temperature (200–800 °C) impacted the reversible capacities and the plateau potential during sodiation, located around ∼40–70 mV vs Na<sup>+</sup>/Na. Based on small-angle X-ray scattering, we could correlate the size and content of the micropores with the observed plateau potential. The washing step was found to be key to removing impurities within the lignin structure, which tended to activate the carbon and reduce the reversible capacity. For the postheating step, HCs prepared using 1200–1300 °C showed the highest performance. Overall, lignin is a very promising, cost-effective precursor for preparing HC, and by optimizing its synthesis, major improvements to the negative electrode performance can be realized, which may also be relevant for HC synthesis from other precursors.</p>","PeriodicalId":4,"journal":{"name":"ACS Applied Energy Materials","volume":"8 10","pages":"6577–6585 6577–6585"},"PeriodicalIF":5.4,"publicationDate":"2025-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsaem.5c00491","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144133842","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Enhancing Open-Circuit Voltage in Infrared PbS Quantum Dot Heterojunction Solar Cells Using ZnO Nanowires Passivated by Atomic Layer Deposition of Al2O3","authors":"Xiaoxiao Mi, Koichi Tamaki, Takaya Kubo*, Damien Coutancier, Nathanaelle Schneider*, Jean-François Guillemoles, Yoko Wasai, Haruko Tamegai, Saemi Takahashi, Jotaro Nakazaki, Satoshi Uchida and Hiroshi Segawa*, ","doi":"10.1021/acsaem.4c0331610.1021/acsaem.4c03316","DOIUrl":"https://doi.org/10.1021/acsaem.4c03316https://doi.org/10.1021/acsaem.4c03316","url":null,"abstract":"<p >PbS colloidal quantum dot (CQD)-based solar cells hold promise for solution-processed solar cells with wideband spectral sensitivity from the visible to the infrared region. In particular, an approximately one micrometer thick nanocomposite structure composed of the densely and intricately mixed infrared-absorbing PbS QDs and ZnO nanowires (NWs) effectively enhances the external quantum efficiency of photocurrent from the visible to the infrared spectrum because of the formation of spatially separate carrier pathways. This enlarged heterointerface makes the nanocomposite structure a promising candidate for a solar cell structure for high-efficiency infrared photovoltaics. However, since the recombination reaction mainly occurs at the heterojunction, improving open-circuit voltage (<i>V</i><sub>oc</sub>) is a critical challenge to fully capitalize on the performance of a nanocomposite with the enlarged heterojunction interface. To address this, we utilized the atomic layer deposition (ALD) technique to passivate the surface defects of ZnO NWs with Al<sub>2</sub>O<sub>3</sub>. A detailed analysis using high-resolution transmission electron microscopy (HR-TEM), scanning transmission electron microscopy (STEM), and energy-dispersive X-ray spectroscopy (EDS) confirmed that a precisely controlled ALD process enables the deposition of the conformal Al<sub>2</sub>O<sub>3</sub> layer with the target thickness (3 nm) uniformly across the surfaces of ZnO NWs within the nanocomposite. Moreover, incorporating infrared-absorbing PbS quantum dots into the nanocomposite structure led to an increase in open-circuit voltage without compromising the short-circuit current density.</p>","PeriodicalId":4,"journal":{"name":"ACS Applied Energy Materials","volume":"8 10","pages":"6308–6319 6308–6319"},"PeriodicalIF":5.4,"publicationDate":"2025-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144133843","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Subbiramaniyan Kubendhiran, Ren-Jei Chung, Chutima Kongvarhodom, Hung-Ming Chen, Sibidou Yougbaré, Muhammad Saukani, Yung-Fu Wu* and Lu-Yin Lin*,
{"title":"Fast Fabrication of High-Performance Supercapacitor Electrodes Based on Two-Dimensional Trimetallic Zinc Manganese Cobalt-Layered Double Hydroxide Nanosheets Derived from Metal–Organic Frameworks","authors":"Subbiramaniyan Kubendhiran, Ren-Jei Chung, Chutima Kongvarhodom, Hung-Ming Chen, Sibidou Yougbaré, Muhammad Saukani, Yung-Fu Wu* and Lu-Yin Lin*, ","doi":"10.1021/acsaem.5c0001810.1021/acsaem.5c00018","DOIUrl":"https://doi.org/10.1021/acsaem.5c00018https://doi.org/10.1021/acsaem.5c00018","url":null,"abstract":"<p >Layered double hydroxides (LDHs) synthesized via hydrothermal methods often suffer from restacking, leading to a reduced specific surface area and fewer active sites. Additionally, the use of binders in the electrode preparation process can introduce dead volumes, which, in turn, decrease the capacitance. To address this issue, we present the rational design of binder-free electrodes made of trimetallic zinc manganese cobalt-layered double hydroxide (ZnMnCo-LDH) nanosheets on nickel foam (NF) that are derived from metal–organic frameworks (MOFs). Cobalt-based MOF nanoflakes grow on NF, and ion exchange reactions produce the trimetallic ZnMnCo-LDH. The synthesis process of trimetallic ZnMnCo-LDH electrodes involves varying amounts of zinc and manganese precursors and synthesizes bimetallic layered double hydroxides (LDHs) using similar experimental conditions for performance comparison. At the optimized conditions, the ZnMnCo-LDH electrode exhibits the highest specific capacitance (<i>C</i><sub>F</sub>) of 1508 F/g at 20 mV/s. Furthermore, we fabricate an asymmetric supercapacitor (ASC) with a ZnMnCo-LDH positive electrode and an Ultraphene negative electrode. This ASC provides excellent energy storage performance with an appreciable energy density of 40.1 Wh/kg and a power density of 700 W/kg. Also, superior cycling stability with a <i>C</i><sub>F</sub> retention of 95% and a Coulombic efficiency of 94% is achieved after 10,000 charge/discharge cycles.</p>","PeriodicalId":4,"journal":{"name":"ACS Applied Energy Materials","volume":"8 10","pages":"6339–6352 6339–6352"},"PeriodicalIF":5.4,"publicationDate":"2025-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsaem.5c00018","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144133788","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Polarity Modification of Graphitic Carbon Nitride for the Mitigation of the Shuttle Effect in Lithium–Sulfur Batteries","authors":"Myeongwoo Choi, Jinhyeon Jo and KwangSup Eom*, ","doi":"10.1021/acsaem.5c0075410.1021/acsaem.5c00754","DOIUrl":"https://doi.org/10.1021/acsaem.5c00754https://doi.org/10.1021/acsaem.5c00754","url":null,"abstract":"<p >Lithium–sulfur (Li–S) batteries are one of the most promising next-generation energy-storage systems due to their high energy density (2600 Wh kg<sup>–1</sup>). Nevertheless, the shuttle effect caused by the dissolution of lithium polysulfide (LiPS) interrupts the commercial application of Li–S batteries. Graphitic carbon nitride (GCN), with an enriched density of pyridinic-N sites for LiPS adsorption, has been explored as an effective adsorption material to inhibit the migration of polysulfides. However, the inferior conductivity of GCN imposes limitations on sulfur utilization in Li–S batteries. Herein, the boron-doped, nitrogen-defect GCN (BCN4<sub>–<i>x</i></sub>) is designed as a slurry additive to synergistically enhance the adsorption strength of LiPS and the conductivity of GCN. Boron doping in GCN enhances positive polarization, improving the conductivity of GCN. Additionally, B-doping induces nitrogen defects and cyano groups, increasing the polarity of the GCN. Based on UV–Vis absorbance, BCN4<sub>–<i>x</i></sub> exhibits a stronger affinity for LiPS compared to GCN. Moreover, compared to pristine GCN, BCN4<sub>–<i>x</i></sub> achieved 20% higher capacity retention (71.33% after 100 cycles at 0.5 C) and 1.7 times greater rate performance (803.01 mAh g<sup>–1</sup> at 1.0 C) in Li–S batteries due to a synergistic effect.</p>","PeriodicalId":4,"journal":{"name":"ACS Applied Energy Materials","volume":"8 10","pages":"6707–6712 6707–6712"},"PeriodicalIF":5.4,"publicationDate":"2025-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144133977","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Meysam Tayebi, Zohreh Masoumi, Mahdi Tayebi, Bongkuk Seo, Choong-Sun Lim, Chaehwan Hong, Daeseung Kyung* and Hyeon-Gook Kim*,
{"title":"MOF-Derived FexCo2-XP/NF Electrocatalysts for Efficient Glucose Oxidation and Water Splitting","authors":"Meysam Tayebi, Zohreh Masoumi, Mahdi Tayebi, Bongkuk Seo, Choong-Sun Lim, Chaehwan Hong, Daeseung Kyung* and Hyeon-Gook Kim*, ","doi":"10.1021/acsaem.5c0078410.1021/acsaem.5c00784","DOIUrl":"https://doi.org/10.1021/acsaem.5c00784https://doi.org/10.1021/acsaem.5c00784","url":null,"abstract":"<p >The glucose oxidation reaction (GOR) is emerging as an energy-efficient alternative to the oxygen evolution reaction (OER), owing to its lower thermodynamic potential and the simultaneous production of value-added chemicals from biomass feedstocks. In this work, we report a bifunctional Fe<sub><i>x</i></sub>Co<sub>2-X</sub>P/NF electrocatalyst, integrated onto a nickel foam (NF) substrate, synthesized via a controlled metal–organic framework (MOF)-derived phosphorization strategy. The resulting Fe<sub><i>x</i></sub>Co<sub>2-X</sub>P/NF electrode demonstrates outstanding electrocatalytic activity toward both the GOR and overall water splitting, achieving low overpotentials of 205 mV and 119 mV for the OER and hydrogen evolution reaction (HER), respectively, at 10 mA·cm<sup>–2</sup>. The Fe<sub><i>x</i></sub>Co<sub>2-X</sub>P/NF (±) electrode demonstrated a low cell voltage of 1.44 V for the GOR/HER system at a current density of 10 mA·cm<sup>–2</sup>, which is substantially lower than the 1.72 V required for the conventional OER/HER configuration. This reduction in energy input, combined with the production of valuable chemicals, highlights the dual functional advantage of the GOR. The improved catalytic performance is attributed to the synergetic integration of FeCo alloy nanostructure with N-doped carbon within a porous 3D framework, enhancing charge transfer, stability, and active site accessibility. These findings present a scalable and innovative approach for simultaneous green hydrogen production and biomass valorization, aligning with the goals of sustainable and economically viable energy systems.</p>","PeriodicalId":4,"journal":{"name":"ACS Applied Energy Materials","volume":"8 10","pages":"6677–6687 6677–6687"},"PeriodicalIF":5.4,"publicationDate":"2025-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144133982","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Jui-Che Chang, Justinas Palisaitis, Shailesh Kalal, Gueorgui K. Gueorguiev, Axel R. Persson, Eric Nestor Tseng, Grzegorz Greczynski, Per O. Å. Persson, Jianwu Sun, Yu-Kuei Hsu, Lars Hultman, Jens Birch and Ching-Lien Hsiao*,
{"title":"The Role of a Ta2O5 Seed Layer on Phase Evolution and Epitaxial Growth of Ta3N5 Thin Films on Al2O3(0001)","authors":"Jui-Che Chang, Justinas Palisaitis, Shailesh Kalal, Gueorgui K. Gueorguiev, Axel R. Persson, Eric Nestor Tseng, Grzegorz Greczynski, Per O. Å. Persson, Jianwu Sun, Yu-Kuei Hsu, Lars Hultman, Jens Birch and Ching-Lien Hsiao*, ","doi":"10.1021/acsaem.5c0080410.1021/acsaem.5c00804","DOIUrl":"https://doi.org/10.1021/acsaem.5c00804https://doi.org/10.1021/acsaem.5c00804","url":null,"abstract":"<p >The present work investigates the growth, microstructure, and phase evolution of reactively sputtered Ta–N thin films deposited on Al<sub>2</sub>O<sub>3</sub>(0001) substrates with and without a Ta<sub>2</sub>O<sub>5</sub> seed layer using complementary experimental techniques and theoretical calculations. X-ray diffraction (XRD) patterns reveal that without a seed layer, the films predominantly consist of the (111)-oriented cubic δ-TaN phase. In contrast, Ta<sub>2</sub>O<sub>5</sub> seed layers promote the formation of an orthorhombic Ta<sub>3</sub>N<sub>5</sub> phase with preferred orientation along the <i>c</i>-axis. Scanning transmission electron microscopy (STEM) results show the presence of large epitaxial Ta<sub>3</sub>N<sub>5</sub> domains. Thickness-dependent XRD patterns and STEM images, together with fast Fourier transform studies, reveal that the transformations from β-Ta<sub>2</sub>O<sub>5</sub> to a Ta–N mixed phase and finally to Ta<sub>3</sub>N<sub>5</sub> take place during film growth. This observed phase transformation depicts that the seed layer serves not only as a structural template for the epitaxial growth of Ta<sub>3</sub>N<sub>5</sub> but also as an active participant in the nitridation process during growth. Energy calculations suggest that the Ta–N species play a crucial role in stabilizing Ta<sub>3</sub>N<sub>5</sub> growth. This work elucidates the complex interplay among seed layers, deposition conditions, and precursor energetics, offering a comprehensive understanding of Ta<sub>3</sub>N<sub>5</sub> thin film epitaxial growth mechanisms.</p>","PeriodicalId":4,"journal":{"name":"ACS Applied Energy Materials","volume":"8 10","pages":"6699–6706 6699–6706"},"PeriodicalIF":5.4,"publicationDate":"2025-05-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsaem.5c00804","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144133984","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}