Advanced Energy Materials
·
2025
·
IF 26
Ziqi Fu,Pengfei Huang,Xiaoyang Wang,Wei-Di Liu,Lingchang Kong,Kang Chen,Jinyang Li,Yanan Chen
The development of high-entropy alloy (HEA) catalysts is hindered by the “combinatorial explosion” challenge inherent to their complex component design. This study presents an artificial intelligence-assisted high-throughput framework that synergizes large language models (LLMs) for literature mining and genetic algorithms (GAs) for iterative optimization to overcome this challenge. Here, LLMs analyzed 14 242 publications to identify 10 critical hydrogen evolution reaction (HER)-active elements (Fe, Co, Ni, Pt, etc.), narrowing the candidate pool to 126 Pt-based HEA combinations. GA-driven experiment optimizes this subset via ultrafast high-throughput material synthesis and screening using ultrafast high-temperature thermal shock technology, achieving convergence in 4 iterations (24 samples) for 60% reduction of the versus conventional GA approaches. The optimal IrCuNiPdPt/C catalyst exhibits the record-low HER overpotentials of 25.5 and 119 mV at 10 and 100 mA cm⁻ 2 , surpassing commercial Pt/C by 49% and 18%, respectively, which demonstrates 300-h stability with negligible decay. This work establishes a paradigm-shifting strategy bridging computational intelligence and autonomous experiment, that slashes the discovery time from millennia to hours, enabling rational design of multi-component catalysts for sustainable energy applications.
研究领域:
材料科学
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能源科学
·
计算科学
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DOI
高影响因子
ACS Applied Nano Materials
·
2021
·
IF 5.097
Ying Zheng,Mingqiang Cheng,Xinyan Wu,Shuang Zhang,Zhu Liu,Yanqiang Li,Weiquan Shao,Qing Lin,Jinshan Tan,Shouwu Gao,Yongcheng Zhang,Wanneng Ye
Mechanical energy can be directly transformed into chemical energy by piezoelectric materials, namely, piezocatalysis, which is a potential tactic for renewable clean energy collection and environmental purification. The piezocatalytic efficiency strongly relies on the piezoelectric property and free charge concentration of piezocatalysts. Here, four samarium-doped (1 – x)Pb(Mg1/3Nb2/3)O3-xPbTiO3 nanostructures were designed to investigate the correlation between the piezoelectric property and piezocatalytic performance. The diverse dye degradation efficiencies confirmed the high piezoelectric coefficient toward high catalytic activity. The degradation efficiency for acid orange 7 (AO7) was 100% within 20 min, while those for methyl orange (MO), methylene blue, and rhodamine B dyes were 97, 78, and 72%, respectively, within 40 min under ultrasonic vibration only. Furthermore, high catalytic efficiency of 96% was still maintained for AO7 degradation after 10 consecutive degradation cycles for samarium-doped 0.70Pb(Mg1/3Nb2/3)O3-0.30PbTiO3 due to its high piezoelectric coefficient. The investigation of the catalytic mechanism demonstrated that hole and superoxide radicals were the primary active species toward AO7 degradation, whereas hydroxyl and hole radicals were for MO degradation. This work not only demonstrates the highly efficient catalytic activity of samarium-doped (1 – x)Pb(Mg1/3Nb2/3)O3-xPbTiO3 nanostructures but also gives a deep comprehension of the correlation between the piezoelectric property and catalytic performance of piezocatalysts.
研究领域:
材料科学
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环境催化
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纳米材料
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物理化学
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能源材料
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DOI
高影响因子
Journal of Materials Chemistry A
·
2014
·Vol. 3
·期 6
·2770-2775
·
IF 0
Muhua Luo,Yuanchen Hong,Weifeng Yao,Cunping Huang,Qunjie Xu,Qiang Wu
The synthesis of colloidal Pt and Pt alloy nanoparticles (NPs) requires surfactants and capping agents to inhibit the overgrowth and aggregation of NPs. These reagents are also needed in the shape control synthesis of NPs to vary crystal growth rates in selected directions. Polyvinylpyrrolidone (PVP) is one of the most common water soluble capping agents for use in the synthesis of colloidal particles. However, PVP strongly adsorbed onto the surface of nanoparticles is detrimental when the NPs are used as catalysts, because surface adsorbed PVP blocks the access of reactant molecules to the active sites of nanoparticles. In this paper, we report a facile NaBH4/tert-butylamine (TBA) treatment technology for the effective removal of PVP from the surface of colloidal Pt–Pd nanocubes (NCs). This method does not change the morphology of the NPs. After treatment, the catalytic activity of Pt–Pd NCs significantly improves due to greater particle surface areas available for catalytic reactions. This facile method will find extensive applications in the fields of fuel cells, water electrolysis and photocatalytic hydrogen production.
研究领域:
材料科学
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催化化学
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燃料电池技术
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DOI
Catalysts
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2022
·Vol. 12
·期 5
·571
·
IF 4.501
Yuxin Liu,Jing Ye,Fanpeng Kong,Chunyu Du,Pengjian Zuo,Lei Du,Geping Yin
Proton exchange membrane (PEM) fuel cells using Pt-based materials as electrocatalysts have achieved a decent performance, represented by the launched Toyota Mirai vehicle. The ideal PEM fuel cells consume stored pure hydrogen and air. However, SO2, as a primary air contaminant, may be fed along with air at the cathode, leading to Pt site deactivation. Therefore, it is important to improve the SO2tolerance of catalysts for the stability of the oxygen reduction reaction (ORR). In this work, we develop the Pt/C-TiO2catalyst against SO2poisoning during ORR. Impressively, the hybrid Pt/C-TiO2catalyst with 20 mass % TiO2shows the best ORR and anti-toxic performance: the kinetic current density of ORR is 20.5% higher and the degradation rate after poisoning is 50% lower than Pt/C. The interaction between Pt and TiO2as well as the abundant hydroxyl groups on the surface of TiO2are both revealed to account for the accelerated removal of poisonous SO2on Pt surfaces.
研究领域:
材料科学
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电化学
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能源科学
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DOI
高影响因子
ACS Catalysis
·
2026
·
IF 13.6
Hui Zhao,Xin-Pu Fu,Wei-Wei Wang,Chun-Jiang Jia
The Pt-GaOx combination is widely investigated for catalyzing propane dehydrogenation (PDH), as its efficient site synergy compensates for the low selectivity associated with single Pt sites. However, these catalysts suffer from rapid deactivation under harsh reaction conditions due to the thermal migration and sintering of active sites, alongside irreversible structural degradation. To address these challenges, we developed mesoporous silica-confined Sm2O3 to stabilize the Pt-Sm2O3 and GaOx-Sm2O3 interfaces. Based on comprehensive characterization, the as-formed small Sm2O3 species play a crucial role in boosting the catalytic performance. Specifically, the confined Sm2O3 clusters intensify interactions with both Pt and GaOx within the mesopores, which suppresses the excessive aggregation of Pt-Ga alloys and stabilizes the active Gaδ+–H species. As a result, the Pt-Ga/Sm@SiO2 catalyst exhibits a low deactivation constant (0.007 h–1) and a high specific activity of 2.28 s–1 after 100 h of continuous operation at 550 °C, significantly outperforming its conventional Pt-Ga counterparts. This work thus provides a robust strategy for enhancing the durability of Pt-GaOx catalysts and advances their practical implementation in industrial PDH processes.
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DOI
高影响因子
Surfaces and Interfaces
·
2026
·
IF 6
Wenbin Shi,Yi Tian,Ping Yang,Xiao Zhang
CsPbI 3 /Pt-g-C 3 N 4 Z-scheme heterojunction was created for efficient charge carrier separation. • 1D/2D heterostructure enhances interfacial contact and charge separation. • Pt nanocrystals act as electron mediators guiding directional charge flow. • Coupling photocatalysis with persulfate activation boosts degradation efficiency. • Singlet oxygen identified as the dominant reactive species in the system. A novel Z-scheme photocatalytic system was constructed by bridging graphitic carbon nitride (g-C 3 N 4 ) nanosheets with CsPbI 3 nanowires (NWs) via Pt nanocrystals (NCs) mediators. Comprehensive material characterization verifies that the rational combination of CsPbI 3 NWs and g-C 3 N 4 nanosheets leads to a well-defined 1D/2D heterostructure with intimate interfacial contact. Notably, Pt NCs as highly efficient electron mediators successfully establish a Z-scheme charge transfer pathway and thereby remarkably enhance the separation and migration efficiency of photogenerated carriers. Photoelectrochemical measurement confirms that g-C 3 N 4 /Pt/CsPbI 3 NW composites exhibit substantially elevated photocurrent density and remarkably reduced charge transfer resistance compared with the composites created using CsPbI 3 NCs, indicating the important role of 1D NW structure. Because of well-developed heterostructure and expanding visible light absorption, g-C 3 N 4 /Pt/CsPbI 3 NW composites revealed a degradation efficiency of 71.3% for 2,4-dichlorophenol while that of g-C 3 N 4 /Pt/CsPbI 3 NC composites is 62.9%. The degradation efficiency was further elevated to 82.8% with the introduction of persulfate, forming a coupled photocatalysis advanced oxidation process. Mechanistic studies demonstrate that the construction of Z-scheme heterojunction remarkably enhances the generation of superoxide radicals (·O 2 - ), with a resulting concentration of 12.23 × 10 –7 mol/L. These ·O 2 - species are subsequently converted into singlet oxygen, the primary active agent that works together with ·O 2 - and other radicals to synergistically degrade organic pollutants. These resultssuggest that a highly efficient and stable Z-scheme photocatalyst was created and offer important theoretical and practical guidance for advanced photocatalyst design. Download: Download high-res image (237KB) Download: Download full-size image
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DOI
高影响因子
CHINESE JOURNAL OF CHEMICAL ENGINEERING
·
2026
·
IF 3.5
Ke Li,Xinyue Zhu,Lijuan Su,Haibo Zhu
Al 2 O 3 with high Lewis acid site density and high porosity was synthesized. • Abundant strong Lewis acid sites stabilize Pt-Sn clusters in the PDH reaction. • High porosity endows the catalyst with superior coke tolerance. Pt-based particles supported on alumina are the industrial catalysts for propane dehydrogenation processes. However, the high-temperature reaction conditions promote metal sintering and coke deposition, leading to catalyst deactivation, which constitutes a major technical challenge for this process. In this study, the interplay among the acidity and texture of alumina support, metal–support interaction, and catalyst durability/regenerability was explored. A series of alumina materials with varied acidity and textural properties were prepared by controlling aluminum alkoxide hydrolysis and calcination conditions, producing alumina materials with high Lewis acid site density and porosity. Comprehensive characterizations and propane dehydrogenation tests were performed to investigate how the Lewis acidity and textural properties of the alumina supports influence the deactivation and regeneration behavior of the supported PtSn catalysts. The high density of strong Lewis acid sites effectively anchors metal clusters via strong metal–support interactions, thereby inhibiting sintering and enhancing long-term regenerability. After four reaction-regeneration cycles under simulated industrial conditions, the PtSn/Al-600 catalyst achieved a regeneration rate of 90%. Meanwhile, the ultrahigh surface area and porosity endow the catalyst with high coke accommodation capacity, delaying deactivation by coking. Download: Download high-res image (329KB) Download: Download full-size image
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DOI
高影响因子
ChemCatChem
·
2025
·
IF 3.9
Hongsen Dong,Xiao Lin,Yan Zhao,Daniil I. Kolokolov,Xi Chen,Shipeng Ding
Tunning the metal-support interaction is a common strategy to regulate the electro and geometric structure of supported metal; However, most of supports were limited to oxides, and how the carbides tune the activity of supported metal in CO2 hydrogenation is still elusive. Herein, Pt nanoparticles dispersed on carbides were fabricated and examined in CO2 hydrogenation to CO. Among the carbides (ZrC, SiC, WC and TiC), Pt nanoparticles supported on ZrC showed the best catalytic activity, with the CO2 conversion of up to around 37% and 99% selectivity towards CO; it also displayed decent stability in the time-on-stream for 60 hours. The mechanistic study indicated the strong metal-carbide electronic interaction enabled the electron transfer from the Pt nanoparticle to ZrC in the Pt/ZrC catalysts. The modulation of Pt electronic structure tunned the adsorption configuration of CO2 and H2, thus enhancing the catalytic performance of Pt nanoparticles in CO2 hydrogenation to CO. This work demonstrates the importance of carbides in modulating the electronic structure of supported metals.
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DOI
高影响因子
CATALYSIS TODAY
·
2024
·
IF 5.2
Guojia Li,Yan Xu,Lanxin Ye,Panpan Wang,Siyuan Peng,Yuan Zhou,Hongxia Liu,Qixun Shi,Chuan Wang
The uniformity of nanoparticles on supported catalysts is crucial for the understanding of their active sites. Compared to traditional synthesis methods, continuous flow method can effectively control the size of nanoparticles. Herein, we successfully synthesized a series of Pt/C catalysts with uniform Pt nanoparticles by continuous flow method and discriminated the active sites for 2-methylfuran (2-MF) hydrogenation. The activation energy and XPS characterization results indicate that the 2-MF hydrogenation is mainly governed by Pt geometric properties for Pt nanoparticles ≥ 3.05 nm. Based on the truncated cuboctahedron model, the dominant active sites for 2-MF hydrogenation are further discriminated as follows: the (111) facet for 2-MF conversion, the (100) facet for 2-pentanone (2-PN) formation, the edge site for 2-methyltetrahydrofuran (2-MTHF) formation and the corner site for 2-pentanol (2-POL) formation. For Pt nanoparticles < 3.05 nm, the reaction is mainly influenced by the electronic properties of Pt.
研究领域:
催化化学
·
材料科学
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产品关联
DOI
高影响因子
ChemistrySelect
·
2025
·Vol. 10
·期 43
·e05445
·
IF 2
Hui Li
Direct methanol fuel cells (DMFCs) face significant challenges due to sluggish methanol oxidation reaction (MOR) kinetics and catalyst poisoning by carbon intermediates (e.g., CO ads ). To address this, we rationally designed nitrogen-doped carbon (NC) carriers with tailored N-configurations (pyridinic-N, pyrrolic-N, and graphitic-N) via controlled pyrolysis temperatures (700–1000 °C) and anchored Pt nanoparticles (NPs) to enhance metal-support interaction (MSI). The NC-900 carrier achieved optimal N-configuration distribution (56.7% pyridinic-N, 25.2% pyrrolic-N, 18.1% graphitic-N) and the highest defect density ( I D /I G = 1.12), enabling ultra-dispersed Pt NPs (1.69 nm) and strong electron donation to Pt. XPS confirmed a 61.2% Pt° content in Pt/NPC-900, facilitating efficient methanol adsorption/activation. In alkaline media, Pt/NPC-900 delivered a record mass activity of 4687.5 mA mg −1 Pt - 4.36 × higher than Pt/PC—along with exceptional stability (79.6 % current retention after 500 cycles). In situ Raman spectroscopy revealed a non-CO pathway, circumventing poisoning intermediates. This work establishes a precise N-configuration engineering strategy to optimize MSI for next-generation DMFC catalysts. Graphical Schematic diagram for the preparation of N-doped carbon-supported Pt nanoparticles catalysts by chemical reduction method.By adjusting the roasting temperature, it is possible to control the proportion of different N-configuration distributions. This enables effective control of the dispersion degree and electronic properties of the active metal Pt, thereby enhancing the activity and stability of the catalyst during the alkaline methanol oxidation reaction.
研究领域:
材料科学
·
电化学
·
能量转换
·
纳米催化
·
燃料电池
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产品关联
DOI
高影响因子
Nature Communications
·
2025
·Vol. 16
·期 1
·1-11
·
IF 15.7
Liu Mingda,Zhang Zhichao,Li Chenyu,Jin Sen,Zhu Kunlei,Fan Shoushan,Li Jia,Liu Kai
The methanol oxidation reaction is the bottleneck for direct methanol fuel cells. Unfortunately, the state-of-the-art Pt-based catalysts suffer heavily from the CO poisoning problem. Isolating Pt atoms in a material can avoid CO poisoning. However, single-atom Pt catalysts alone are inert towards methanol oxidation reaction. Here, we report high-entropy alloyed single-atom Pt catalysts, in which single-atom Pt sites are alloyed with non-noble elements in a high-entropy structure. This catalyst not only possesses active Pt sites but also inherits the ability of single-atom Pt to resist CO poisoning. Consequently, the catalyst shows a notable mass activity of 35.3 A mg −1 at only 2.3 at% Pt and maintains high activity even after operation for 180,000 s. Both experimental and theoretical results reveal that the high-entropy structure induces a synergistic effect, wherein the elements coordinated around single-atom Pt sites effectively remove adsorbed CO from Pt. This mechanism facilitates the key reaction steps of methanol oxidation reaction and avoids CO poisoning. This work presents a high-entropy alloyed single-atom strategy to realize efficient and durable methanol oxidation reaction catalysis with low costs.
研究领域:
电化学
·
材料科学
·
纳米催化
·
能源化学
·
物理化学
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产品关联
DOI
PubMed
高影响因子
CATALYSIS LETTERS
·
2025
·Vol. 155
·期 8
·1-14
·
IF 2.4
Jiang Xin,Yang Ye,Zhou Zhangbing,Song Hanbing,Wang Jialing,Qin Yucai,Song Lijuan
Metal clusters encapsulated within zeolites are widely utilized in various catalytic processes due to their high metal dispersion and excellent stability. However, the limited and uncontrollable encapsulation of metal content poses significant challenges for further development. To address this issue, this study introduces Sn 2+ into the framework of Beta zeolite to achieve controlled encapsulation of Pt clusters. Multiple characterizations reveal that the Sn species occupy some of the silanol sites or substitute framework Al³⁺ species within the Beta zeolite, predominantly existing in the form of Sn-O-Si. These framework Sn species effectively stabilize the Pt clusters, thereby not only enhancing the dispersion of Pt clusters but also increasing the encapsulation capacity of the Beta zeolite for Pt clusters. By adjusting the amount of Sn added, precise control over the content of encapsulated Pt species in the Beta zeolite can be achieved. Both excessive and insufficient amounts of Sn are detrimental to the encapsulation of Pt clusters, with the optimal encapsulation effect observed when the Pt to Sn ratio is 1:2. This synthesis strategy has been successfully extended to the preparation of Pt clusters encapsulated in Beta zeolite without Al addition. The prepared catalyst demonstrates excellent catalytic activity and remarkable stability in propane dehydrogenation. These findings provide valuable theoretical insights for the design and development of the zeolite-encapsulated metal cluster catalysts. Graphical The controllable encapsulation of Pt clusters within Beta zeolites was achieved by controlling the incorporation of Sn species into the Beta zeolite framework
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DOI
高影响因子
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