Pub Date : 2026-02-07DOI: 10.1016/j.jallcom.2026.186692
Luyao Zhang, Bohan An, Zhixin Dai, Yue Dong, Xin Li, Ning Li, Yangqin Gao, Lei Ge
{"title":"Synergistic microenvironment electrocatalysis: cooperative Fe sites and S-vacancy nanoarchitectonics with an efficient interface for hydrogen evolution on Ni3S2","authors":"Luyao Zhang, Bohan An, Zhixin Dai, Yue Dong, Xin Li, Ning Li, Yangqin Gao, Lei Ge","doi":"10.1016/j.jallcom.2026.186692","DOIUrl":"https://doi.org/10.1016/j.jallcom.2026.186692","url":null,"abstract":"","PeriodicalId":344,"journal":{"name":"Journal of Alloys and Compounds","volume":"9 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2026-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146134250","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-02-07DOI: 10.1016/j.jallcom.2026.186701
Cong Wang, Yunsong Yang, Guowei Zhang, Hong Xu
Quench sensitivity in Al–7Si–Mg alloys arises from interactions among solute, precipitates, dislocations, and the thermally mismatched Si phase, yet the direct role of Si in deformation after different cooling rates remains insufficiently understood. In this study, we combine experiments with crystal plasticity finite element modeling (CPFEM) to clarify how Si governs the mechanical response of an Al-7Si-0.4Mg alloy subjected to water quenching (WQ) and air cooling (AC). Rapid quenching produces high dislocation densities—particularly near Al/Si interfaces—due to severe thermal-mismatch deformation, while slow cooling results in a much lower initial dislocation content. These differences strongly influence subsequent aging, leading to significantly higher precipitate density and slip resistance in WQ-A than in AC-A specimens. CPFEM reveals that the matrix away from the interface dominates the macroscopic quench sensitivity, contributing most of the strength drop from WQ to AC. However, local deformation is controlled by the Si phase: AC-A specimens have lower dislocation density and precipitates at the Al/Si interface, which results in lower plastic deformation resistance, the intense strain localization at interface-adjacent matrix promotes early cracking, whereas WQ-A specimens show more homogeneous strain distribution and fracture through Si particles due to higher strength of the matrix near the interface and stress accumulation within Si. The integrated experimental–simulation framework elucidates how Si modulates dislocation evolution, strain partitioning, and crack initiation under different cooling rates, providing mechanistic insight for reducing quench sensitivity in Al–Si–Mg alloys and other multiphase systems with thermal-expansion mismatch.
{"title":"Mechanistic Influence of Si on Quench Sensitivity in Al-7Si-0.4Mg: Insights from CPFEM","authors":"Cong Wang, Yunsong Yang, Guowei Zhang, Hong Xu","doi":"10.1016/j.jallcom.2026.186701","DOIUrl":"https://doi.org/10.1016/j.jallcom.2026.186701","url":null,"abstract":"Quench sensitivity in Al–7Si–Mg alloys arises from interactions among solute, precipitates, dislocations, and the thermally mismatched Si phase, yet the direct role of Si in deformation after different cooling rates remains insufficiently understood. In this study, we combine experiments with crystal plasticity finite element modeling (CPFEM) to clarify how Si governs the mechanical response of an Al-7Si-0.4Mg alloy subjected to water quenching (WQ) and air cooling (AC). Rapid quenching produces high dislocation densities—particularly near Al/Si interfaces—due to severe thermal-mismatch deformation, while slow cooling results in a much lower initial dislocation content. These differences strongly influence subsequent aging, leading to significantly higher precipitate density and slip resistance in WQ-A than in AC-A specimens. CPFEM reveals that the matrix away from the interface dominates the macroscopic quench sensitivity, contributing most of the strength drop from WQ to AC. However, local deformation is controlled by the Si phase: AC-A specimens have lower dislocation density and precipitates at the Al/Si interface, which results in lower plastic deformation resistance, the intense strain localization at interface-adjacent matrix promotes early cracking, whereas WQ-A specimens show more homogeneous strain distribution and fracture through Si particles due to higher strength of the matrix near the interface and stress accumulation within Si. The integrated experimental–simulation framework elucidates how Si modulates dislocation evolution, strain partitioning, and crack initiation under different cooling rates, providing mechanistic insight for reducing quench sensitivity in Al–Si–Mg alloys and other multiphase systems with thermal-expansion mismatch.","PeriodicalId":344,"journal":{"name":"Journal of Alloys and Compounds","volume":"3 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2026-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146138422","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-02-07DOI: 10.1016/j.jallcom.2026.186691
Jinbu Su, Xinyu Dong, Heng Zhao, Chenyi Shi, Xuli Lin, Weixin Du, Zifen Guo, Xingxu Miao, Chengbing Wang
{"title":"Load-Dependent Dielectric-Magnetic Synergistic Loss Mechanism and Tunable Absorption Performance in CF@CoFe₂O₄ Composites","authors":"Jinbu Su, Xinyu Dong, Heng Zhao, Chenyi Shi, Xuli Lin, Weixin Du, Zifen Guo, Xingxu Miao, Chengbing Wang","doi":"10.1016/j.jallcom.2026.186691","DOIUrl":"https://doi.org/10.1016/j.jallcom.2026.186691","url":null,"abstract":"","PeriodicalId":344,"journal":{"name":"Journal of Alloys and Compounds","volume":"39 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2026-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146134249","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-02-07DOI: 10.1016/j.jallcom.2026.186573
Prakash S, Bradha Madhavan, Suvitha A, Mariem Hentati, Shatheesh C Kumar, Amal Elleuch, Kamel Halouani
{"title":"Computational and Experimental Investigation of Mn-Doped SrFeO3-δ for Next-Generation Solid Oxide Fuel Cell Electrodes","authors":"Prakash S, Bradha Madhavan, Suvitha A, Mariem Hentati, Shatheesh C Kumar, Amal Elleuch, Kamel Halouani","doi":"10.1016/j.jallcom.2026.186573","DOIUrl":"https://doi.org/10.1016/j.jallcom.2026.186573","url":null,"abstract":"","PeriodicalId":344,"journal":{"name":"Journal of Alloys and Compounds","volume":"23 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2026-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146134253","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-02-07DOI: 10.1016/j.jallcom.2026.186643
Natalia A. Río-López, Patricia Lázpita, Anabel Pérez-Checa, Jorge Feuchtwanger, J. Alberto Rodríguez-Velamazán, Inés Zabala, Volodymyr Chernenko, Jose M. Porro
{"title":"Role of Fe and Co addition in the phase stabilization and magnetic properties of Ni-Mn-Ga Magnetic Shape Memory Alloys","authors":"Natalia A. Río-López, Patricia Lázpita, Anabel Pérez-Checa, Jorge Feuchtwanger, J. Alberto Rodríguez-Velamazán, Inés Zabala, Volodymyr Chernenko, Jose M. Porro","doi":"10.1016/j.jallcom.2026.186643","DOIUrl":"https://doi.org/10.1016/j.jallcom.2026.186643","url":null,"abstract":"","PeriodicalId":344,"journal":{"name":"Journal of Alloys and Compounds","volume":"77 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2026-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146134254","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-02-06DOI: 10.1016/j.jallcom.2026.186677
Jitang Chen, Qian Li, Chengbing Ma, Yupeng Yuan, Huiquan Li
The rational design of heterojunction photocatalysts is essential for overcoming the persistent challenge of charge recombination in solar water-splitting systems. Herein, a step-scheme (S-scheme) AgI/Bi₇O₉I₃ heterojunction was fabricated using a facile one-pot hydrothermal method, where deliberate interfacial engineering enables efficient charge separation and transfer. The optimized heterojunction demonstrated remarkable photocatalytic oxygen (O₂) evolution activity, achieving a rate of 2046.22 μmol·g⁻¹·h⁻¹ under visible-light irradiation (λ ≥ 420 nm)—3.1 and 1.97 times higher than those of pristine AgI and Bi₇O₉I₃, respectively. Ultraviolet photoelectron spectroscopy (UPS) and electron spin resonance (ESR) analyses collectively revealed that a built-in electric field formed at the interface drives the directional migration of electrons from AgI to Bi₇O₉I₃, following an S-scheme charge transfer pathway. This mechanism not only enhances the separation of photogenerated carriers but also preserves strong redox capabilities for the water oxidation reaction. This study presents an effective interfacial engineering strategy for developing high-performance heterojunction photocatalysts and provides fundamental insights into charge behavior in S-scheme photocatalytic systems.
{"title":"The Construction of S-Scheme AgI/Bi₇O₉I₃ Heterojunction via Interfacial Engineering for Enhanced Photocatalytic Oxygen Evolution","authors":"Jitang Chen, Qian Li, Chengbing Ma, Yupeng Yuan, Huiquan Li","doi":"10.1016/j.jallcom.2026.186677","DOIUrl":"https://doi.org/10.1016/j.jallcom.2026.186677","url":null,"abstract":"The rational design of heterojunction photocatalysts is essential for overcoming the persistent challenge of charge recombination in solar water-splitting systems. Herein, a step-scheme (S-scheme) AgI/Bi₇O₉I₃ heterojunction was fabricated using a facile one-pot hydrothermal method, where deliberate interfacial engineering enables efficient charge separation and transfer. The optimized heterojunction demonstrated remarkable photocatalytic oxygen (O₂) evolution activity, achieving a rate of 2046.22 μmol·g⁻¹·h⁻¹ under visible-light irradiation (λ ≥ 420<!-- --> <!-- -->nm)—3.1 and 1.97 times higher than those of pristine AgI and Bi₇O₉I₃, respectively. Ultraviolet photoelectron spectroscopy (UPS) and electron spin resonance (ESR) analyses collectively revealed that a built-in electric field formed at the interface drives the directional migration of electrons from AgI to Bi₇O₉I₃, following an S-scheme charge transfer pathway. This mechanism not only enhances the separation of photogenerated carriers but also preserves strong redox capabilities for the water oxidation reaction. This study presents an effective interfacial engineering strategy for developing high-performance heterojunction photocatalysts and provides fundamental insights into charge behavior in S-scheme photocatalytic systems.","PeriodicalId":344,"journal":{"name":"Journal of Alloys and Compounds","volume":"1 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2026-02-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146122157","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-02-06DOI: 10.1016/j.jallcom.2026.186662
Pengfei Xu, Liqin Qin, Lelin Qiao, Xuewen Li, Pengsheng Wang, Xinyu Ni, Yanjie Liu, Yi Liu
The composition-microstructure-property (CSP) relationships of multi-component alloys need to be established by analyzing statistically a variety of typical samples with different properties in correspondence with various compositions and microstructures. This study employed high-throughput experimentation (HTE) techniques to prepare 128 molybdenum (Mo) alloys of 3-5 component systems involving 10 constituent elements out of a candidate space of 239,821 compositions. The 13 typical alloys were selected out of the 128 HTE samples based on the varying hardness and compositions for microstructure characterizations using X-ray diffraction, optical microscopy, and scanning electron microscopy to reveal the CSP relationships as follows: (1) Composition-property relationship: The hardening effect of the alloying elements Fe and Cr are more significant than Nb, Ti, and Zr. (2) Microstructure-property relationship: The microstructures of low-hardness alloys typically consist of coarse equiaxed grains. The hardness increases progressively as the characteristic microstructure size decreases gradually associated with the morphology transitions from equiaxed to cellular grains and then dendritic microstructures. (3) Composition-microstructure relationship: The addition of Re and/or W elements into Mo-based alloys promotes the formation of equiaxed crystals, while the Ti-Zr-Nb elements facilitates the formation of cellular crystals. The incorporation of Fe element helps to form relatively dense dendritic crystals. This study demonstrates that variations in melting points of constituent elements, influenced by the physical origins of variations in electronegativity and radius, substantiate strong correlations with distinct microstructural characteristics and hardness properties. In view of strengthening mechanisms, the hardening in the low-hardness alloys (< 500 HV) originates primarily from the solid solution strengthening effects of alloying elements. In the medium-hardness range (500-700 HV), the hardening mechanisms consist of both solid solution strengthening and fine-grain strengthening with elemental segregation at cellular grain boundaries. For the high-hardness alloys (> 700 HV), the hardening mechanism mainly attributes to dendritic morphology, fine-grain strengthening and solid solution strengthening. Understanding the composition-microstructure-property relationships helps to design advanced structural alloys with excellent comprehensive properties via the engineering control of compositions and microstructures. Also, it provides domain knowledge to prompt multimodal learning of microstructure images in future data-driven alloy design.
{"title":"Revealing Relationships Between Composition, Microstructure, and Mechanical Property of Molybdenum Alloys via High-throughput Experiments","authors":"Pengfei Xu, Liqin Qin, Lelin Qiao, Xuewen Li, Pengsheng Wang, Xinyu Ni, Yanjie Liu, Yi Liu","doi":"10.1016/j.jallcom.2026.186662","DOIUrl":"https://doi.org/10.1016/j.jallcom.2026.186662","url":null,"abstract":"The <em>composition-microstructure-property</em> (CSP) relationships of multi-component alloys need to be established by analyzing statistically a variety of typical samples with different properties in correspondence with various compositions and microstructures. This study employed high-throughput experimentation (HTE) techniques to prepare 128 molybdenum (Mo) alloys of 3-5 component systems involving 10 constituent elements out of a candidate space of 239,821 compositions. The 13 typical alloys were selected out of the 128 HTE samples based on the varying hardness and compositions for microstructure characterizations using X-ray diffraction, optical microscopy, and scanning electron microscopy to reveal the CSP relationships as follows: (1) <em>Composition-property</em> relationship: The hardening effect of the alloying elements Fe and Cr are more significant than Nb, Ti, and Zr. (2) <em>Microstructure-property</em> relationship: The microstructures of low-hardness alloys typically consist of coarse equiaxed grains. The hardness increases progressively as the characteristic microstructure size decreases gradually associated with the morphology transitions from equiaxed to cellular grains and then dendritic microstructures. (3) <em>Composition-microstructure</em> relationship: The addition of Re and/or W elements into Mo-based alloys promotes the formation of equiaxed crystals, while the Ti-Zr-Nb elements facilitates the formation of cellular crystals. The incorporation of Fe element helps to form relatively dense dendritic crystals. This study demonstrates that variations in melting points of constituent elements, influenced by the physical origins of variations in electronegativity and radius, substantiate strong correlations with distinct microstructural characteristics and hardness properties. In view of strengthening mechanisms, the hardening in the low-hardness alloys (< 500 HV) originates primarily from the solid solution strengthening effects of alloying elements. In the medium-hardness range (500-700 HV), the hardening mechanisms consist of both solid solution strengthening and fine-grain strengthening with elemental segregation at cellular grain boundaries. For the high-hardness alloys (> 700 HV), the hardening mechanism mainly attributes to dendritic morphology, fine-grain strengthening and solid solution strengthening. Understanding the <em>composition-microstructure-property</em> relationships helps to design advanced structural alloys with excellent comprehensive properties via the engineering control of compositions and microstructures. Also, it provides domain knowledge to prompt multimodal learning of microstructure images in future data-driven alloy design.","PeriodicalId":344,"journal":{"name":"Journal of Alloys and Compounds","volume":"55 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2026-02-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146122158","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-02-06DOI: 10.1016/j.jallcom.2026.186665
Shoaib Iqbal, Muhammad Zubair Nisar, Tiezhu Guo, Muhammad Amin Padhiar, Sajjad ul Haq, Muhammad Shuaib Khan, Tingting Xu
{"title":"Tailoring Methylamine Treated MAPbI3 HTL-free Perovskite Solar Cells through Carbon Electrode Interface Modification","authors":"Shoaib Iqbal, Muhammad Zubair Nisar, Tiezhu Guo, Muhammad Amin Padhiar, Sajjad ul Haq, Muhammad Shuaib Khan, Tingting Xu","doi":"10.1016/j.jallcom.2026.186665","DOIUrl":"https://doi.org/10.1016/j.jallcom.2026.186665","url":null,"abstract":"","PeriodicalId":344,"journal":{"name":"Journal of Alloys and Compounds","volume":"1 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2026-02-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146134265","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-02-06DOI: 10.1016/j.jallcom.2026.186681
Muhammad Wasim Afzal, Muhammad Imran Kanjal, RuiFeng Ren, Yuanyuan Zhang, Iram Yasmin, Saira Sabir, Shazia Ashraf, Xue Liu, Yan Bai, Dong-Bin Dang
The electrochemical CO2 reduction reaction (eCO2RR) to produce valuable products is a promising strategy for mitigating carbon emissions and combating climate change. Indium-based catalysts demonstrate high activity and selectivity in this process, particularly in formate production. However, achieving high Faradaic efficiency, stability, and selectivity toward the desired products, while controlling the adsorption of competitive intermediates *COOH and *OCHO on In-based materials with precision, remains a significant challenge. To address this challenge, we introduce a cerium-doped indium-based material (InCe0.4BTC) as a highly efficient and stable electrocatalyst for CO2 reduction (CO2RR). Specifically engineered for formate (HCOOˉ) production, this catalyst modifies the electronic structure of indium to enhance its performance. The InCe0.4BTC catalyst demonstrated an impressive 96% Faradaic efficiency (FE) for formate (HCOOˉ) production at -1.0 V versus the reversible hydrogen electrode (RHE), significantly surpassing the performance of traditional In-based catalysts. It also demonstrated exceptional long-term stability, maintaining an average FE of 95.5% over 50 h. The catalyst achieved a partial current density of 25 mA cm-2 for formate production at -1.0 V vs. RHE, highlighting its potential for high-rate CO2 reduction. The InCe0.4BTC catalyst exhibited enhanced charge-transfer properties and superior selectivity for formate, thereby addressing the significant limitations of In-based catalysts. Density functional theory (DFT) calculations further revealed that Ce doping alters the electronic structure of the catalyst, enhancing its interaction with the *OCHO intermediate. These results highlight the potential of InCe0.4BTC as a highly promising catalyst for efficient, stable CO2 reduction, offering exciting possibilities for renewable energy storage and carbon capture.
{"title":"Efficient Electroreduction of CO2 to Formate via Stable Cerium-Doped Indium-Based Metal-Organic Framework","authors":"Muhammad Wasim Afzal, Muhammad Imran Kanjal, RuiFeng Ren, Yuanyuan Zhang, Iram Yasmin, Saira Sabir, Shazia Ashraf, Xue Liu, Yan Bai, Dong-Bin Dang","doi":"10.1016/j.jallcom.2026.186681","DOIUrl":"https://doi.org/10.1016/j.jallcom.2026.186681","url":null,"abstract":"The electrochemical CO<sub>2</sub> reduction reaction (eCO<sub>2</sub>RR) to produce valuable products is a promising strategy for mitigating carbon emissions and combating climate change. Indium-based catalysts demonstrate high activity and selectivity in this process, particularly in formate production. However, achieving high Faradaic efficiency, stability, and selectivity toward the desired products, while controlling the adsorption of competitive intermediates *COOH and *OCHO on In-based materials with precision, remains a significant challenge. To address this challenge, we introduce a cerium-doped indium-based material (InCe<sub>0.4</sub>BTC) as a highly efficient and stable electrocatalyst for CO<sub>2</sub> reduction (CO<sub>2</sub>RR). Specifically engineered for formate (HCOOˉ) production, this catalyst modifies the electronic structure of indium to enhance its performance. The InCe<sub>0.4</sub>BTC catalyst demonstrated an impressive 96% Faradaic efficiency (FE) for formate (HCOOˉ) production at -1.0<!-- --> <!-- -->V versus the reversible hydrogen electrode (RHE), significantly surpassing the performance of traditional In-based catalysts. It also demonstrated exceptional long-term stability, maintaining an average FE of 95.5% over 50<!-- --> <!-- -->h. The catalyst achieved a partial current density of 25<!-- --> <!-- -->mA<!-- --> <!-- -->cm<sup>-2</sup> for formate production at -1.0<!-- --> <!-- -->V vs. RHE, highlighting its potential for high-rate CO<sub>2</sub> reduction. The InCe<sub>0.4</sub>BTC catalyst exhibited enhanced charge-transfer properties and superior selectivity for formate, thereby addressing the significant limitations of In-based catalysts. Density functional theory (DFT) calculations further revealed that Ce doping alters the electronic structure of the catalyst, enhancing its interaction with the *OCHO intermediate. These results highlight the potential of InCe<sub>0.4</sub>BTC as a highly promising catalyst for efficient, stable CO<sub>2</sub> reduction, offering exciting possibilities for renewable energy storage and carbon capture.","PeriodicalId":344,"journal":{"name":"Journal of Alloys and Compounds","volume":"91 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2026-02-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146122155","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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