Journal of Energy Chemistry最新文献_第8页

Ultrasonic imaging technology for non-destructive detection of lithium ion batteries 锂离子电池无损检测的超声成像技术

IF 14.9 1区化学 Q1 Energy

Journal of Energy Chemistry

Pub Date : 2026-04-01 Epub Date: 2025-12-03 DOI: 10.1016/j.jechem.2025.11.041

Ping Liu , Rongrong Li , Xinqi Liang , Guoxiang Pan , Feng Cao , Jiayuan Xiang , Chen Wang , Wangjun Wan , Zhong Qiu , Yongqi Zhang , Ming Song , Fangfang Tu , Wei Wen , Yuanyuan Jiang , Yuhong Zhang , Xinping He , Yang Xia , Wenkui Zhang , Qi Liu , Xinhui Xia

Ultrasonic imaging technology (UIT) has emerged as a pivotal non-destructive detection method for lithium ion batteries (LIBs), addressing critical challenges in ensuring battery safety and performance. This review comprehensively explores the working principles of UIT, including ultrasonic reflection, refraction, and attenuation, and its applications in LIB inspection. It systematically elaborates on the advancements and applications of UIT for high-resolution imaging of electrode microstructures, real-time monitoring of electrolyte wetting and dry-out, and precise detection of defects such as lithium plating, gas evolution, and electrode delamination. We also discuss the non-invasive assessment of state-of-charge and state-of-health of LIBs by correlating acoustic properties with structural changes during battery cycling. Comparative analyses highlight the superiority of UIT over traditional destructive methods and complementary technologies. Furthermore, this review rigorously examines the current challenges and future development prospects of UIT. Despite challenges in resolving nanoscale defects and adapting to complex battery architectures, UIT shows promise when integrated with AI-driven data analysis and advanced transducers. Finally, we also envision emerging applications of UIT in the broader renewable energy sector, aiming to provide scientific insights for optimizing manufacturing, lifecycle management, and safety assurance of the battery industry.

超声成像技术（UIT）已成为锂离子电池（lib）的关键无损检测方法，解决了确保电池安全和性能的关键挑战。本文综述了超声传感器的工作原理，包括超声反射、折射和衰减，以及在LIB检测中的应用。它系统地阐述了UIT在电极微结构的高分辨率成像、电解质润湿和干燥的实时监测以及精确检测锂电镀、气体析出和电极分层等缺陷方面的进展和应用。我们还讨论了通过将电池循环过程中的声学特性与结构变化相关联来对锂电池的充电状态和健康状态进行非侵入性评估。对比分析强调了UIT相对于传统破坏方法和互补技术的优越性。此外，本文还严格审查了UIT目前面临的挑战和未来的发展前景。尽管在解决纳米级缺陷和适应复杂电池架构方面存在挑战，但当与人工智能驱动的数据分析和先进的传感器集成时，UIT显示出了希望。最后，我们还展望了UIT在更广泛的可再生能源领域的新兴应用，旨在为优化电池行业的制造、生命周期管理和安全保证提供科学见解。

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引用次数: 0

Dual-defect engineered TiO2@ZnIn2S4 Z-scheme heterojunction for outstanding photocatalytic H2 evolution 双缺陷工程TiO2@ZnIn2S4 z型异质结具有出色的光催化析氢

IF 14.9 1区化学 Q1 Energy

Journal of Energy Chemistry

Pub Date : 2026-04-01 Epub Date: 2025-11-25 DOI: 10.1016/j.jechem.2025.11.025

Mai-Yan Nan , Heng Rao , Jinpeng Zhang , Ping She , Jun-Sheng Qin , Jingrun Ran

Photocatalytic hydrogen evolution (PHE) is one of the most promising methods for clean energy production. However, current photocatalysts are still challenged by limited light absorption and rapid recombination of photogenerated carriers. Constructing defects can effectively broaden light absorption and promote charge separation and transfer. The interface between heterogeneous catalysts is prone to generating multi-component active centers to facilitate the activation of reactants for enhanced catalytic activity. In this report, the combination of defective TiO₂ and ZnIn₂S₄ of sulfur-rich vacancies (TiO₂@ZIS) was developed, which achieved an optimized PHE rate of 9.63 mmol g⁻¹ h⁻¹. After loading 1.0 wt% Pt cocatalyst, TiO₂@ZIS exhibits the apparently-raised PHE rate of 83.41 mmol g⁻¹ h⁻¹ in the presence of triethanolamine (TEOA) as the sacrificial agent. Theoretical calculation and experimental results reveal that the remarkable hydrogen (H₂) evolution performance is contributed by the unique Z-scheme charge transfer pathway, which reduces energy loss during charge transfer and facilitates the kinetics of surface H₂ evolution. This report provides valuable insights into designing and engineering defective materials for solar-driven energy conversion.

光催化析氢（PHE）是清洁能源生产中最有前途的方法之一。然而，目前的光催化剂仍然面临着光吸收有限和光生成载体快速重组的挑战。构建缺陷可以有效地扩大光吸收，促进电荷的分离和转移。非均相催化剂之间的界面容易产生多组分活性中心，有利于反应物的活化，从而提高催化活性。在本报告中，我们开发了缺陷TiO2与富硫空位ZnIn2S4的组合（TiO2@ZIS），优化后的PHE速率为9.63 mmol g−1 h−1。负载1.0 wt% Pt的助催化剂后，TiO2@ZIS在三乙醇胺（TEOA）作为牺牲剂的情况下，PHE率明显提高，达到83.41 mmol g−1 h−1。理论计算和实验结果表明，独特的Z-scheme电荷转移途径减少了电荷转移过程中的能量损失，有利于表面H2的演化动力学。本报告提供了有价值的见解，设计和工程缺陷材料的太阳能驱动的能量转换。

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引用次数: 0

V single-atom engineered defect-rich MoS2 to boost H2S decomposition into hydrogen and sulfur V单原子工程富缺陷MoS2促进H2S分解为氢和硫

IF 14.9 1区化学 Q1 Energy

Journal of Energy Chemistry

Pub Date : 2026-04-01 Epub Date: 2025-12-09 DOI: 10.1016/j.jechem.2025.12.005

Hui Liu , Kailong Xu , Kaisong Xiang , Fenghua Shen , Hao Chen , Yelin Zhu , Xinlei Wang , Lin Wu , Liyuan Chai , Jun Wu

Hydrogen sulfide (H₂S), a toxic and prevalent industrial byproduct, poses significant environmental and safety challenges, yet it also represents an underutilized source of hydrogen. The direct decomposition of H₂S into hydrogen and sulfur provides a sustainable pathway for simultaneously mitigating pollution and recovering energy. However, its industrial implementation is hindered by sluggish kinetics and catalyst deactivation. Herein, a defect-rich V single-atom engineered MoS₂ catalyst supported on Al₂O₃ (V-MoS₂/Al₂O₃) was designed to address these challenges. Atomically dispersed V atoms possess a low coordination (3.69) environment that promotes the formation of high-density sulfur vacancies and low-valent Mo²⁺, thereby enhancing electron transfer and facilitating H–S bond activation. Density functional theory calculations further reveal that the formation of Mo-S_vacancy-V active centers synergistically reduces the energy barriers for H₂S dissociation and product (H₂ and S₂) desorption. The optimized catalyst achieves 72% H₂S conversion with approximately ∼90% hydrogen selectivity and high-purity sulfur product at 800 °C, alongside excellent operational stability. Such high H₂S conversion efficiency was achieved by the synergistic effect of the efficient catalyst developed and the fluidized-bed reactor established in this work, in which sulfur was quickly condensed and removed from the system, leading to the shift of equilibrium according to the La-Chatelier principle. This work provides fundamental insights into the cooperative mechanism of vacancy-single-atom and demonstrates a scalable atomic-level strategy for efficient hydrogen production from sulfur-rich waste streams.

硫化氢（H2S）是一种有毒且普遍存在的工业副产品，它给环境和安全带来了重大挑战，但它也是一种未充分利用的氢气来源。将H2S直接分解为氢和硫，为同时减轻污染和回收能源提供了一条可持续的途径。然而，它的工业实施受到缓慢的动力学和催化剂失活的阻碍。本文设计了一种基于Al2O3的富缺陷V单原子工程MoS2催化剂（V-MoS2/Al2O3）来解决这些问题。原子分散的V原子具有低配位（3.69）的环境，促进高密度硫空位和低价Mo2+的形成，从而增强电子转移，促进H-S键活化。密度泛函理论计算进一步表明，Mo-Svacancy-V活性中心的形成协同降低了H2S解离和产物（H2和S2）脱附的能垒。优化后的催化剂在800°C下可实现72%的H2S转化率，约90%的氢选择性和高纯度的硫产物，同时具有出色的操作稳定性。如此高的硫化氢转化效率是由本研究开发的高效催化剂和建立的流化床反应器的协同作用实现的，在流化床反应器中，硫被快速冷凝并从系统中去除，导致平衡根据拉-夏特列原理发生转移。这项工作为空位-单原子的合作机制提供了基本的见解，并展示了从富硫废物流中高效产氢的可扩展原子级策略。

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引用次数: 0

In situ self-driven crystallization for 25 °C-air-processed perovskite enabling efficient inverted perovskite solar cells 25°c空气处理钙钛矿的原位自驱动结晶，实现高效的倒钙钛矿太阳能电池

IF 14.9 1区化学 Q1 Energy

Journal of Energy Chemistry

Pub Date : 2026-04-01 Epub Date: 2025-12-05 DOI: 10.1016/j.jechem.2025.11.053

Zhuowei Du , Zhu Ma , Qian Zhang , Hao Du , Yixian Li , Fuchun Gou , Xinyue Liu , Yi Li , Zhuo Lv , Dengqian Xiang , Bo Chen , Yi Chen , Qiang Yang , Wei You , Junbo Yang , Andi Zhang , Cheng Huang , Jian Yu , Yan Xiang , Jiangzhao Chen , Kuan Sun

Inverted perovskite solar cells (IPSCs) have emerged as promising photovoltaic technologies due to excellent photoelectric properties and solution processing advantages. However, the traditional preparation process based on inert atmosphere annealing of perovskite films faces key challenges, including high energy consumption, strict crystallization control, and the presence of stresses. The study introduces the in situ self-driven crystallization (ISDC) strategy, which is an innovative method to realize the spontaneous crystallization of perovskite in the original environment and substrate under ambient air at 25 °C without annealing. This approach successfully achieved high-quality perovskite films with preferential (001) and (002) orientations without annealing treatment. Choline chloride (a kind of vitamin B4, VB4) can simultaneously realize iodine deficiency passivation and hydrogen bond association of formamidine/methylamine (FA/MA) in the ISDC process, thus preventing the reaction of water molecules with the formed perovskite. Isopropyl alcohol (IPA) will take away part of the water molecules in the process of volatilization due to the hydrogen bond with water, so as to ensure the priority of the perovskite reaction. Finally, ISDC-IPSCs achieved a power conversion efficiency (PCE) of 21.86%, which exceeded the PCE of 21.19% of IPSCs prepared by the annealing scheme, and maintained 94.7% of the initial PCE after 2250 h of storage in a N₂ environment. The ambient-air ISDC strategy sets a precedent for the annealing-free crystallization of perovskite.

倒置钙钛矿太阳能电池（IPSCs）由于其优异的光电性能和溶液加工优势而成为一种很有前途的光伏技术。然而，传统的惰性气氛退火制备钙钛矿薄膜的工艺面临着高能耗、严格的结晶控制和应力的存在等关键挑战。本研究引入了原位自驱动结晶（ISDC）策略，该策略是一种创新的方法，可以在25℃环境空气下实现钙钛矿在原始环境和衬底中自发结晶而无需退火。这种方法在没有退火处理的情况下成功地获得了具有优先（001）和（002）取向的高质量钙钛矿薄膜。氯化胆碱（维生素B4的一种，VB4）可以在ISDC过程中同时实现甲脒/甲胺（FA/MA）的缺碘钝化和氢键结合，从而防止水分子与形成的钙钛矿发生反应。异丙醇（IPA）在挥发过程中由于与水的氢键作用会带走部分水分子，从而保证钙钛矿反应的优先性。最后，ISDC-IPSCs的功率转换效率（PCE）达到21.86%，超过了退火方案制备的IPSCs的21.19%，在N2环境中储存2250 h后，PCE仍保持在初始PCE的94.7%。环境空气ISDC策略为钙钛矿的无退火结晶开创了先例。

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引用次数: 0

Machine learning accelerates the design and discovery of single-atom catalysts for electrochemical reactions 机器学习加速了电化学反应单原子催化剂的设计和发现

IF 14.9 1区化学 Q1 Energy

Journal of Energy Chemistry

Pub Date : 2026-04-01 Epub Date: 2025-11-26 DOI: 10.1016/j.jechem.2025.11.031

Shiyan Wang , Chaopeng Liu , Weiyao Hao , Xianjun Zhu , Xianghong Niu , Dongwei Ma , Longlu Wang , Qiang Zhao

Single-atom catalysts (SACs) stand at the forefront of catalysis research, attributable to their distinctive electronic structure, maximized atomic utilization, and exceptional catalytic performance, making them highly promising for renewable energy and sustainable energy conversion applications. However, their complex design parameters—including metal active sites, coordination environments, and substrate interactions—pose significant challenges for traditional experimental and computational approaches. These limitations hinder the systematic understanding of structure–property relationships in SACs. Machine learning (ML) offers a powerful alternative, enabling rapid screening and rational design by uncovering hidden patterns in high-dimensional catalyst data. This review summarizes recent advances in applying ML to the design and discovery of SACs. First, we analyze and summarize the recent trends and representative works in ML applications for SACs research. Next, a systematic workflow is proposed to guide researchers through ML-assisted SACs discovery, from data engineering to model application. We then showcase ML’s impact on critical catalytic reactions—CO₂RR, HER, NRR, and ORR/OER—demonstrating its ability to uncover high-performance catalysts. Finally, we discuss challenges and future directions for integrating ML with SAC research, aiming to inspire innovative solutions and interdisciplinary collaboration. By bridging ML and catalysis, this review provides researchers with a practical roadmap to expedite the advancement of SACs.

单原子催化剂（SACs）由于其独特的电子结构、最大限度的原子利用率和优异的催化性能，站在催化研究的前沿，在可再生能源和可持续能源转换应用中具有很大的前景。然而，它们复杂的设计参数——包括金属活性位点、协调环境和底物相互作用——对传统的实验和计算方法提出了重大挑战。这些限制阻碍了对SACs结构-性质关系的系统理解。机器学习（ML）提供了一个强大的替代方案，通过揭示高维催化剂数据中的隐藏模式，实现快速筛选和合理设计。本文综述了将机器学习应用于sac的设计和发现方面的最新进展。首先，我们分析和总结了机器学习应用于sac研究的最新趋势和代表性作品。接下来，提出了一个系统的工作流程来指导研究人员通过ml辅助sac发现，从数据工程到模型应用。然后，我们展示了ML对关键催化反应（co2rr， HER， NRR和ORR/ oer）的影响，展示了其发现高性能催化剂的能力。最后，我们讨论了将ML与SAC研究相结合的挑战和未来方向，旨在激发创新的解决方案和跨学科的合作。通过桥接ML和催化，这篇综述为研究人员提供了一个实用的路线图，以加快SACs的进步。

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引用次数: 0

Manipulating chemical environment via entropy configuration to facilitate cationic redox reactions in Na4Fe1.5Mn1.5(PO4)2P2O7 通过熵组态操纵化学环境促进Na4Fe1.5Mn1.5(PO4)2P2O7中的阳离子氧化还原反应

IF 14.9 1区化学 Q1 Energy

Journal of Energy Chemistry

Pub Date : 2026-04-01 Epub Date: 2025-11-26 DOI: 10.1016/j.jechem.2025.11.032

Jiahao Gu, Liang He, Xu Wang, Xiaochen Ge, Wen Zhou, Yanqing Lai, Zhian Zhang

The redox reaction of Fe/Mn ions in Na₄Fe_1.5Mn_1.5(PO₄)₂(P₂O₇) (NMFPP) is expected to achieve the unity of high energy density and long lifespan. Nonetheless, the efficiency and reversibility of the reaction hardly reach expectations, arising from the poor conductivity and structure stability. Herein, an entropy configuration strategy is proposed to address these issues. Introducing Ni/Co ions with abundant valence electrons can increase the configurational entropy of the system and trigger the reconstruction of the chemical environment, involving electronic structure, coordination environment, and atomic arrangement. The interaction between Ni/Co and host atoms will alter hybrid orbital energy and electron distribution, thereby narrowing the bandgap and improving conductivity. Besides, inert Ni/Co can stabilize the coordination environment of surrounding Na⁺ during the reaction process to ensure smooth diffusion channels, which facilitates ion transport. Notably, the disruption of short-range order generated by high configurational entropy will block the distortion transmission of the Jahn-Teller effect on structure. Consequently, the cationic redox reaction in Na₄Mn_1.3Fe_1.5Ni_0.1Co_0.1(PO₄)₂P₂O₇ (NMFPP-NC) exhibits outstanding efficiency and reversibility, which endows it with high specific energy and cycle stability. This work reveals the structure-activity relationship between entropy configuration and chemical environment, inspiring the development of high-performance sodium ion batteries.

Fe/Mn离子在Na4Fe1.5Mn1.5(PO4)2(P2O7) （NMFPP）中的氧化还原反应有望实现高能量密度和长寿命的统一。然而，由于电导率和结构稳定性差，反应的效率和可逆性难以达到预期。本文提出了一种熵配置策略来解决这些问题。引入具有丰富价电子的Ni/Co离子可以增加体系的构型熵，引发化学环境的重建，包括电子结构、配位环境和原子排列。Ni/Co与主原子之间的相互作用将改变杂化轨道能量和电子分布，从而缩小带隙，提高电导率。此外，惰性Ni/Co在反应过程中稳定了周围Na+的配位环境，保证了扩散通道的畅通，有利于离子的传递。值得注意的是，高位态熵所产生的短程秩序的破坏将阻止jann - teller效应在结构上的畸变传输。因此，Na4Mn1.3Fe1.5Ni0.1Co0.1(PO4)2P2O7 （NMFPP-NC）中的阳离子氧化还原反应表现出优异的效率和可逆性，从而使其具有高比能和循环稳定性。这项工作揭示了熵态与化学环境之间的构效关系，对高性能钠离子电池的开发具有启发意义。

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引用次数: 0

Multi-interface-induced radiant heat activation strategy: achieving solar-driven hydrogen production from formic acid 多界面诱导辐射热激活策略：实现太阳能驱动甲酸制氢

IF 14.9 1区化学 Q1 Energy

Journal of Energy Chemistry

Pub Date : 2026-04-01 Epub Date: 2025-11-17 DOI: 10.1016/j.jechem.2025.10.060

Kun Liu , Rui Wang , Zhengjun Tu , Liang Zhao , Fengnian Wang , Yinshi Li

Forced convection between the reactants and the catalyst in solar-driven hydrogen production systems increases heat loss, thereby constraining the hydrogen evolution rate. To address these challenges, we proposed a multi-interface-induced radiant heat activation strategy that utilizes photothermally generated radiant heat to pre-activate reactants. This process enables the rapid interfacial vaporization of reactants and significantly enhances mass transfer. The resulting multi-interface heating system (MIH) developed achieves gradient heat utilization, combining broadband solar absorption with low thermal emittance, while ensuring precise spatiotemporal coordination between reactant supply and catalytic activity. As a result, a high hydrogen evolution rate of 242 mmol g⁻¹ h⁻¹ is achieved under 1 sun illumination at room temperature, using formic acid (HCOOH) as a liquid hydrogen carrier. This work demonstrates an efficient, low-energy pathway for hydrogen generation and offers a promising platform for practical solar-to-hydrogen conversion under ambient conditions.

在太阳能驱动制氢系统中，反应物和催化剂之间的强制对流增加了热损失，从而限制了析氢速率。为了解决这些挑战，我们提出了一种多界面诱导辐射热激活策略，利用光热产生的辐射热来预激活反应物。这一过程使反应物的界面快速汽化，并显著提高了传质。由此开发的多界面加热系统（MIH）实现了梯度热利用，结合了宽带太阳能吸收和低热发射，同时确保了反应物供应和催化活性之间的精确时空协调。结果表明，在室温条件下，以甲酸（HCOOH）为液氢载体，在1个太阳光照条件下，析氢速率达到242 mmol g−1 h−1。这项工作展示了一种高效、低能量的制氢途径，并为在环境条件下实际的太阳能制氢提供了一个有前途的平台。

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引用次数: 0

Decoupling ambient air-induced degradation mechanism of LiNiO2 during short-time storage 解耦环境空气对LiNiO2短时贮存降解机理的影响

IF 14.9 1区化学 Q1 Energy

Journal of Energy Chemistry

Pub Date : 2026-04-01 Epub Date: 2025-11-12 DOI: 10.1016/j.jechem.2025.10.059

Hongling Yi , Jiashi Wang , Gui Luo , Xin Yu , Zihan Yan , Tingting Zheng , Zhixing Wang , Wenjie Peng , Guangchao Li , Bichao Wu , Wenchao Zhang , Feixiang Wu , Junchao Zheng , Jiexi Wang

LiNiO₂ (LNO) is a compelling high‐capacity and cost‐effective cathode for lithium‐ion batteries, yet its pronounced air sensitivity remains a key obstacle to practical deployment. Here, we elucidate the distinct roles of H₂O and CO₂ in governing surface chemistry and degradation pathways of LNO under controlled atmospheres. CO₂ promotes the formation of petal‐like Li₂CO₃, whereas H₂O generates LiOH, triggering Ni³⁺ reduction and lattice distortion. Their coexistence induces a synergistic effect that accelerates LiOH conversion and Li₂CO₃/LiHCO₃ accumulation, culminating in irreversible structural deterioration. Notably, the Li₂CO₃ layer derived from CO₂ exposure evolves into a robust, fluorine‐rich cathode-electrolyte interphase (CEI) during initial cycling, substantially stabilizing the interface and improving performance. A 20-minute CO₂ treatment yields a discharge capacity of 186.1 mA h g⁻¹ at 5 C, outperforming the pristine electrode (172.2 mA h g⁻¹). These findings deliver mechanistic clarity on gas–solid reactions in Ni-rich cathodes, highlight the dualistic effects of atmospheric species, and provide a blueprint for designing air‐tolerant, high‐rate Ni‐rich materials.

LiNiO2 （LNO）是一种引人注目的高容量、高性价比的锂离子电池阴极材料，但其明显的空气敏感性仍然是实际应用的主要障碍。在这里，我们阐明了H2O和CO2在控制大气中LNO的表面化学和降解途径中的不同作用。CO2促进花瓣状Li2CO3的形成，而H2O生成LiOH，触发Ni3+还原和晶格畸变。它们的共存引发了协同效应，加速了LiOH转化和Li2CO3/LiHCO3的积累，最终导致不可逆的结构恶化。值得注意的是，在初始循环过程中，二氧化碳暴露产生的Li2CO3层演变成一个坚固的、富氟的阴极电解质界面（CEI），极大地稳定了界面并提高了性能。在5℃下，20分钟的CO2处理产生186.1 mA h g−1的放电容量，优于原始电极（172.2 mA h g−1）。这些发现阐明了富镍阴极中气固反应的机理，强调了大气物质的二元效应，并为设计耐空气、高速率富镍材料提供了蓝图。

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引用次数: 0

Advanced interface engineering of Cu electrocatalysts to boost the electrocatalytic CO2 reduction to multicarbon products 先进的Cu电催化剂界面工程，促进电催化CO2还原成多碳产品

IF 14.9 1区化学 Q1 Energy

Journal of Energy Chemistry

Pub Date : 2026-04-01 Epub Date: 2025-11-12 DOI: 10.1016/j.jechem.2025.11.007

Yuanyi Yang , Yun Yang , Diye Wei , Yingxuan Zhu , Zishan Han , Yang Song , Chunjin Wei , Abdullah N. Alodhayb , Xiaodong Yi , Zhou Chen

Electrocatalytic CO₂ reduction to multi-carbon (C₂₊) products offers a promising route for sustainable fuel and chemical production, yet achieving high selectivity and activity under industrial current densities remains a challenge. In this study, we first employed density functional theory (DFT) calculations to screen candidate Cu-based catalysts and predicted that an Ag-Cu₂O interface would optimize the electronic structure, improve *CO intermediate coverage, and lower the energy barrier for C–C coupling. Subsequently, we engineered an Ag/Cu₂O heterojunction catalyst via surface reconstruction and interfacial integration to enhance the activity and C₂₊ selectivity of copper-based catalysts in CO₂RR. The preferred Ag/Cu₂O-2 heterojunction catalyst achieved a C₂₊ Faradaic efficiency (FE) of 77.8 % at −300 mA cm⁻² in a flow cell. Comprehensive in situ characterization and additional DFT calculations reveal that Ag-Cu₂O interfaces enhance *CO adsorption, thereby promoting C–C coupling and accelerating its subsequent proton-coupled electron transfer (PCET). This synergy ultimately boosts C₂₊ products formation over the Ag/Cu₂O catalyst.

电催化CO2还原成多碳（C2+）产品为可持续燃料和化工生产提供了一条很有前途的途径，但在工业电流密度下实现高选择性和高活性仍然是一个挑战。在本研究中，我们首先采用密度泛函理论（DFT）计算筛选候选cu基催化剂，并预测Ag-Cu2O界面将优化电子结构，提高*CO中间体覆盖率，降低C-C耦合的能垒。随后，我们通过表面重构和界面整合设计了Ag/Cu2O异质结催化剂，以提高铜基催化剂在CO2RR中的活性和C2+选择性。优选的Ag/ cu20 -2异质结催化剂在- 300 mA cm -2的流动电池中获得了77.8%的C2+法拉第效率（FE）。综合原位表征和附加的DFT计算表明，Ag-Cu2O界面增强了*CO的吸附，从而促进了C-C耦合并加速了随后的质子耦合电子转移（PCET）。这种协同作用最终促进了Ag/Cu2O催化剂上C2+产物的生成。

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引用次数: 0

Engineering vanadium dioxide cathodes toward ultrastable zinc ion batteries 用于超稳定锌离子电池的工程二氧化钒阴极

IF 14.9 1区化学 Q1 Energy

Journal of Energy Chemistry

Pub Date : 2026-04-01 Epub Date: 2025-12-23 DOI: 10.1016/j.jechem.2025.12.033

Wenli Li , Xiangyi Gu , Jie Zhang , Xu Wang , Yujia Cai , Guohua Gao , Qinghong Wang , Jianguo Lu

Rechargeable aqueous zinc-ion batteries (ZIBs) represent a promising energy storage technology due to their intrinsic safety, low cost, and environmental compatibility. However, the practical application of vanadium-based cathodes is hindered by structural instability and rapid capacity decay during cycling. Herein, we develop an Al³⁺ doping strategy to engineer the VO₂ cathode with remarkably enhanced stability. The introduction of Al³⁺ not only induces favorable oxygen vacancies but also reinforces the host structure, effectively mitigating lattice strain and minimizing vanadium dissolution. The resulting Al2-VO₂ cathode exhibits a high specific capacity of 452 mAh g⁻¹ at 0.1 A g⁻¹ and exceptional long-term cyclability, retaining ∼70% capacity after 10,000 cycles at 10 A g⁻¹. Kinetics studies further reveal capacitive-dominated storage behavior and facilitated Zn²⁺ diffusion, underscoring the role of defect engineering in boosting electrochemical performance. This work provides a feasible cation-doping approach to realize highly stable VO₂-based cathodes for sustainable energy storage applications.

可充电水锌离子电池具有安全、低成本、环保等优点，是一种极具发展前景的储能技术。然而，钒基阴极的实际应用受到结构不稳定和循环过程中容量快速衰减的阻碍。在此，我们开发了一种Al3+掺杂策略来设计具有显著增强稳定性的VO2阴极。Al3+的引入不仅产生了有利的氧空位，而且强化了基体结构，有效地减轻了晶格应变，减少了钒的溶解。所得的Al2-VO2阴极在0.1 a g−1下具有452 mAh g−1的高比容量和优异的长期可循环性，在10 a g−1下循环10,000次后仍保持70%的容量。动力学研究进一步揭示了电容主导的存储行为和促进Zn2+扩散，强调了缺陷工程在提高电化学性能方面的作用。这项工作提供了一种可行的阳离子掺杂方法来实现高稳定的vo2基阴极，用于可持续储能应用。

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