Jia Yu, Liying Cao, Siyuan Zhong, Yanyun Wang, Danhong Shang, Meng Yu, Yangping Zhang, Jie Yu, Fu Yang, Zongping Shao
{"title":"Mechanism-Driven Atomic-Level Engineering Over RuO2-Based Catalysts for Proton Exchange Membrane Water Electrolysis","authors":"Jia Yu, Liying Cao, Siyuan Zhong, Yanyun Wang, Danhong Shang, Meng Yu, Yangping Zhang, Jie Yu, Fu Yang, Zongping Shao","doi":"10.1002/aenm.71381","DOIUrl":"10.1002/aenm.71381","url":null,"abstract":"<div>\u0000 \u0000 <p>Proton Exchange Membrane Water Electrolysis (PEMWE) device with merits of high energy efficiency, rapid response, and operational flexibility represents one of the most promising technologies for green hydrogen production. However, the overall hydrogen production efficiency in PEMWEs is frequently constrained by kinetic limitations of the anodic oxygen evolution reaction (OER), due to intricate multi-step proton-electron transfer processes. RuO<sub>2</sub>-based catalysts remain limited stability, primarily due to intrinsic Ru site overoxidation and lattice oxygen loss during operation, which motivates intensive study into their understanding and mitigating these inactivation mechanisms. Different from traditional surface scale optimization, recent advances in RuO<sub>2</sub> catalyst have focused on mechanism-driven atomic-level engineering modification of both Ru sites and coordination environment to simultaneously enhance catalytic activity and stability. However, a comprehensive understanding that bridges the mechanistic complexity of OER with targeted atomic-scale intervention remains elusive, in response, this review provides a comprehensive overview of recent advances in RuO<sub>2</sub>-based nanocatalysts, with an emphasis on OER mechanisms, advanced in-situ/operando characterizations in PEMWE, and mechanism-based strategies for regulating stability at the atomic scale. Ultimately, this review concludes by delineating the primary challenges and outlining promising future research directions essential for advancing the practical application of RuO<sub>2</sub> catalysts in PEMWEs.</p>\u0000 </div>","PeriodicalId":111,"journal":{"name":"Advanced Energy Materials","volume":"16 33","pages":""},"PeriodicalIF":25.5,"publicationDate":"2026-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148675255","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Electrocatalytic Urea Waste Valorization via Water Electrolysis: Transition-Metal Phosphides for Sustainable Hydrogen Production","authors":"Shivalingayya Gaddimath, Varsha Kashanner, Soumya Kulkarni, Vishal Sorathiya, Anitha Bamani, Rajveer Singh Rajaura, Mahaveer Kurkuri, Shambhulinga Aralekallu, Yogendra Kumar Mishra","doi":"10.1002/aenm.71260","DOIUrl":"10.1002/aenm.71260","url":null,"abstract":"<p>As global energy demand continues to grow along with increasing environmental challenges, the development of clean, sustainable, and eco-friendly energy technologies has become imperative to sustain modern society. Urea-assisted water electrolysis (UAWE) offers a sustainable hydrogen production pathway with simultaneous wastewater remediation. However, its commercialization is hindered by high cost, toxic intermediates, chemical structural complexity of catalysts, and limited long-term stability. In recent years, transition metal phosphides (TMPs) have been identified as promising electrocatalysts for UAWE, attributed to their high conductivity, favorable catalytic activity, enhanced energy efficiency, and relatively good stability. The surface passivation, structural reconstruction during electrolysis operation, and the leaching of phosphorus at the electrode–electrolyte interface can significantly affect long-term stability. In this review, we systematically explored diverse hybrid electrolysis with a specific focus on UAWE as the central platform for TMP electrocatalysts. The coupled HER and UOR mechanisms underlying the fundamental electrochemical principles, key synthesis and materials engineering strategies are discussed in relation to their roles in improving catalytic performance. Further, recent advances in TMPs electrocatalysts for UAWE are comprehensively reviewed with respect to catalytic activity, energy efficiency, durability, and cost-effectiveness. Future perspectives on functional optimization, industrial scalability, and long-term sustainability of UAWE processes are outlined.</p>","PeriodicalId":111,"journal":{"name":"Advanced Energy Materials","volume":"16 33","pages":""},"PeriodicalIF":25.5,"publicationDate":"2026-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/aenm.71260","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148687921","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Hyunwoo Kim, Hyo Sang Jeon, Eugene Huh, Man Ho Han, Hyeon-Seok Bang, Junho Lee, Jae-Young Choi, Dong Ki Lee, Kyeongsu Kim, Byoung Koun Min, Woong Hee Lee, Hyung-Suk Oh
{"title":"Tuning Interfacial Water Dynamics via Gd-Doped Cu2O for High-Rate Selective CO2-to-Ethanol Conversion","authors":"Hyunwoo Kim, Hyo Sang Jeon, Eugene Huh, Man Ho Han, Hyeon-Seok Bang, Junho Lee, Jae-Young Choi, Dong Ki Lee, Kyeongsu Kim, Byoung Koun Min, Woong Hee Lee, Hyung-Suk Oh","doi":"10.1002/aenm.71129","DOIUrl":"https://doi.org/10.1002/aenm.71129","url":null,"abstract":"<p>The electrochemical reduction of CO<sub>2</sub> (CO<sub>2</sub>RR) to liquid fuels, particularly ethanol, is limited by competing ethylene pathways and sluggish proton-coupled electron transfer (PCET). While conventional catalyst design has predominantly focused on surface binding energies, the critical role of the electrode–electrolyte interface, specifically the structure of interfacial water, remains underexplored. In this study, we aim to address this gap by reporting on a gadolinium (Gd)-doped Cu<sub>2</sub>O electrocatalyst that utilizes the high oxophilicity of lanthanides to engineer a free water-rich interfacial microenvironment, enabling high ethanol selectivity. Operating at an industrially relevant 800 mA cm<sup>−2</sup> in a flow cell, the catalyst achieves ethanol Faradaic efficiencies of 46.5% and 48.5% in alkaline and neutral electrolytes, respectively. Remarkably, the ethanol partial current density reaches 527.8 mA cm<sup>−2</sup> at 1200 mA cm<sup>−2</sup>. <i>Operando</i> spectroscopy reveals that Gd dopants disrupt the rigid, ice-like interfacial hydrogen-bonding network, enriching non-coordinated free water. This disordered environment enhances proton availability, facilitating the selective hydrogenation of <sup>*</sup>OCCO intermediates to ethanol-forming species (e.g., <sup>*</sup>OCCOH) while suppressing ethylene generation. These findings establish a direct structure–function correlation between interfacial water dynamics and product selectivity, providing a novel design principle for sustainable fuel synthesis.</p>","PeriodicalId":111,"journal":{"name":"Advanced Energy Materials","volume":"16 33","pages":""},"PeriodicalIF":25.5,"publicationDate":"2026-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/aenm.71129","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148872115","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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":"Reversible Secondary-Solvation-Shell Regulation Enables Dendrite-Free Zinc Anodes via a Polarizable Two-Segment Additive","authors":"Xiao Yang, Yixing Fang, Tian Zhang, Zhen Wang, Tianchen Zhang, Guodong Miao, Jiamin Pei, Jie Shi, Zhihui Ma, Fanxin Lin, Xuanhui Qu, Zhongheng Fu, Ping Li","doi":"10.1002/aenm.71313","DOIUrl":"10.1002/aenm.71313","url":null,"abstract":"<div>\u0000 \u0000 <p>Electrolyte additives are an effective approach to suppress dendrite growth and parasitic reactions on Zn anodes. However, additive-enabled solvation regulation is often limited by poor reversibility during long-term cycling. Here, we propose a screening strategy for electrolyte additives based on secondary-solvation-shell interactions, in which an ideal molecule combines high polarizability with a two-segment architecture. Guided by these criteria, isopropyl β-D-1-thiogalactopyranoside (IPTG) is identified as a representative additive. Experimental and theoretical analyses reveal that IPTG predominantly resides in the secondary solvation shell and reversibly modulates the Zn<sup>2+</sup> solvation environment. IPTG forms an interfacial electrostatic shield that homogenizes Zn<sup>2+</sup> transport, promotes (002)-oriented growth, and enables the in situ formation of an ionically conductive IPTG-ZnS hybrid solid-electrolyte interphase. As a result, the Zn||Zn symmetric cell operates stably for 5377 h at 1 mA cm<sup>−2</sup> and 1 mAh cm<sup>−2</sup>, and the Zn||Cu cell delivers an average Coulombic efficiency of 99.94% over 10 000 cycles at 8 mA cm<sup>−2</sup> and 1 mAh cm<sup>−2</sup>. This work establishes generalizable screening criteria for rational electrolyte-additive design toward practical aqueous zinc-ion batteries.</p>\u0000 </div>","PeriodicalId":111,"journal":{"name":"Advanced Energy Materials","volume":"16 33","pages":""},"PeriodicalIF":25.5,"publicationDate":"2026-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148459690","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Yanan Xia, Hongsheng Ma, Xinyue Qu, Bin Dong, Zhenyu Xiao, Xiaobin Liu, Jingqi Chi, Lei Wang
{"title":"Disrupting Interfacial Hydrogen-Bond Networks via S-Bridge Bonding for Anti-Scaling Hydrogen Production in Seawater","authors":"Yanan Xia, Hongsheng Ma, Xinyue Qu, Bin Dong, Zhenyu Xiao, Xiaobin Liu, Jingqi Chi, Lei Wang","doi":"10.1002/aenm.71307","DOIUrl":"10.1002/aenm.71307","url":null,"abstract":"<div>\u0000 \u0000 <p>Electrolyzing seawater for hydrogen production is a promising route toward energy transition, yet its efficiency is limited by sluggish water dissociation, hydrogen desorption kinetics, and cathode-side precipitation issues. To address these challenges, a highly efficient hydrogen evolution electrocatalyst was developed by constructing a Pt/NiS structure interconnected through S bridge bonds, enabling strong synergistic electron transfer. In situ characterizations and theoretical analyses reveal that the S bridges modulate charge distribution between NiS and Pt and enhance strong metal-substrate interactions (SMSI), which disrupt rigid hydrogen-bond networks, accelerate water dissociation on NiS, and facilitate H* transfer to Pt. Furthermore, in neutral seawater, the disrupted hydrogen-bond network also increases water mobility and lowers bubble surface tension, promoting the formation and release of smaller bubbles and preventing active-site blockage by Mg/Ca hydroxide precipitates. As a result, the catalyst achieves excellent stability in alkaline and neutral seawater. In an anion exchange membrane water electrolyzer (AEMWE), the Pt/NiS||S-NiFe LDH system delivers a low cell voltage of 1.71 V at 100 mA cm<sup>−2</sup> and a competitive hydrogen production cost of $1.07 GGE<sup>−1</sup>, demonstrating its outstanding activity, stability, and efficiency.</p>\u0000 </div>","PeriodicalId":111,"journal":{"name":"Advanced Energy Materials","volume":"16 33","pages":""},"PeriodicalIF":25.5,"publicationDate":"2026-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148459661","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Integrating Machine Learning and High‐Throughput Calculations for the Rational Design of Photocatalytic 2D‐COFs on Overall Water Splitting","authors":"Rui Zhang,Zhao‐Di Yang,Xiaoyu Chu,Guiling Zhang","doi":"10.1002/aenm.71537","DOIUrl":"https://doi.org/10.1002/aenm.71537","url":null,"abstract":"ABSTRACT Two‐dimensional covalent organic frameworks (2D‐COFs) with tunable structures offer a promising platform for photocatalytic overall water splitting (OWS) under visible‐light. However, it is challenging to quickly find photocatalytic OWS materials from the massive amounts of 2D‐COFs and then achieve precise synthesis. In this work, we constructed 11 934 hcb‐type 2D‐COFs by assembling 28 building blocks and 9 linkages. The machine learning (ML) and high‐throughput computation (HTC) were integrated to predict feasible photocatalytic OWS hcb‐type 2D‐COFs. Through training 10 initial algorithms and optimizing the hyperparameters of top 4 algorithms in terms of performance, the ETR model for predicting the band‐edge levels with R 2 of 0.97 and 0.99 was developed, and the KNR and RFR models were built for predicting Δ G *H and Δ G *OH with R 2 of 0.99 and 0.83, respectively. 2581 2D‑COFs (21.63% of dataset) are screened to be potential structures for visible‑light‑driven water splitting. After applying the optimal ML models on all assembled 2D‐COFs, a list of high‐frequency building blocks and linkages is suggested as a set of suitable candidates for the first time. Then TBTZ_FBN0_Imine (TBTZ‐FBN0‐COF) was assembled and experimentally synthesized. Its OWS activity verified our ML‐HTC paradigm, which provides the researchers recommendation to construct photocatalytic OWS 2D‐COFs.","PeriodicalId":111,"journal":{"name":"Advanced Energy Materials","volume":"31 1","pages":""},"PeriodicalIF":27.8,"publicationDate":"2026-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148895813","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Ki-Yong Yoon, Hyunmin Kim, Kyung-Bok Lee, Jaehoon Jeong, Dohyung Kim, Hee Yoon Roh, Ji-Hoon Lee, Rong Ma, Yunfei Bu, Sung Mook Choi, Hosik Lee, Jihwan An, Juchan Yang
{"title":"Accelerated Oxygen Evolution Kinetics in Layered Double Perovskites via Hydroxide Surface Engineering for Anion Exchange Membrane Water Electrolysis","authors":"Ki-Yong Yoon, Hyunmin Kim, Kyung-Bok Lee, Jaehoon Jeong, Dohyung Kim, Hee Yoon Roh, Ji-Hoon Lee, Rong Ma, Yunfei Bu, Sung Mook Choi, Hosik Lee, Jihwan An, Juchan Yang","doi":"10.1002/aenm.71133","DOIUrl":"https://doi.org/10.1002/aenm.71133","url":null,"abstract":"<p>Electrochemical water splitting via anion exchange membrane water electrolysis (AEMWE) system offers a sustainable route for converting renewable energy sources into hydrogen. Nevertheless, the practical viability of the AEMWE system is hampered by the sluggish four-electron oxygen evolution reaction (OER) kinetics of state-of-the-art AEMWE anode materials. Herein, a NiFe(OH)<sub>x</sub>/PrBa<sub>0.5</sub>Sr<sub>0.5</sub>Co<sub>1.5</sub>Fe<sub>0.5</sub>O<sub>5+</sub><i><sub>δ</sub></i> (PBSCF) layered double perovskite heterostructure is constructed via a scalable and conformal surface engineering process and is investigated as OER electrocatalyst for AEMWE system. Combined experimental and theoretical analyses reveal that strong interfacial interactions between the NiFe(OH)<sub>x</sub> layer and the PBSCF perovskite facilitate efficient electron transfer, thereby accounting for the enhanced OER activity of surface engineered NiFe(OH)<sub>x</sub>/PBSCF. Furthermore, the construction of a dynamically robust NiFe(OH)<sub>x</sub> interface inhibits amorphization and concurrent precipitation in PBSCF by balancing cation dissolution and re-deposition under OER operation. Notably, the AEMWE system with the cell configuration of NiFe(OH)<sub>x</sub>/PBSCF (Anode)|AEM|Pt/C (Cathode) demonstrates an exceptional current density (2.66 A cm<sup>−2</sup> at 2.0 V<sub>cell</sub>) along with outstanding stability for 1,000 h at a practical current density of 1.0 A cm<sup>−2</sup>. This work provides a useful design strategy for developing durable and efficient OER electrocatalysts for AEMWE and related electrochemical energy systems.</p>","PeriodicalId":111,"journal":{"name":"Advanced Energy Materials","volume":"16 33","pages":""},"PeriodicalIF":25.5,"publicationDate":"2026-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/aenm.71133","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148871940","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Xingwang Kang, Rong Wang, Jialin Wu, Kang An, Zhipeng Yin, Feiyue Lu, Zhisheng Zhou, Qin Wang, Larry Lüer, Hongbin Wu, Shi-Jian Su, Lei Ying, Christoph J. Brabec, Ning Li
{"title":"Decoupling Competing Roles of Energetic Disorder and Molecular Structural Order in Organic Photovoltaics","authors":"Xingwang Kang, Rong Wang, Jialin Wu, Kang An, Zhipeng Yin, Feiyue Lu, Zhisheng Zhou, Qin Wang, Larry Lüer, Hongbin Wu, Shi-Jian Su, Lei Ying, Christoph J. Brabec, Ning Li","doi":"10.1002/aenm.71301","DOIUrl":"10.1002/aenm.71301","url":null,"abstract":"<div>\u0000 \u0000 <p>Minimizing non-radiative voltage loss remains a key challenge for organic solar cells (OSCs), yet the interplay between energetic disorder and molecular structural order is not well understood. By systematically varying polymer donors (PM6, PTzBI-dF, D18-Cl) blended with L8-BO, we decouple these factors using temperature-dependent open-circuit voltage (<i>V<sub>OC</sub></i>) measurements. While a planar donor backbone (PTzBI-dF) promotes molecular packing and raises the ideal <i>V<sub>OC</sub></i> limit (<i>V</i><sub><i>OC</i>, <i>ideal</i></sub>) extrapolated to 0 K, it simultaneously induces severe energetic disorder. Temperature-dependent mobility analysis reveals significant Gaussian broadening parameters (<i>σ</i><sub><i>HOMO</i></sub> = 98 meV; <i>σ</i><sub><i>LUMO</i></sub> = 89 meV) for PTzBI-dF, leading to substantial non-radiative losses and a low room-temperature <i>V<sub>OC</sub></i>. Crucially, the detrimental impact of energetic disorder outweighs the benefits of structural order, particularly below 200 K, where carrier thermalization into disorder induced tail states enhances non radiative recombination. These findings identify energetic disorder as the primary bottleneck to <i>V<sub>OC</sub></i> and highlight the necessity of balancing molecular structural order with disorder suppression for next-generation OSC development.</p>\u0000 </div>","PeriodicalId":111,"journal":{"name":"Advanced Energy Materials","volume":"16 33","pages":""},"PeriodicalIF":25.5,"publicationDate":"2026-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148459669","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Chen-Xi Bi, Bo-Quan Li, Yu-Jie Zhu, Zheng Li, Zi-Xian Chen, Jin Ma, Meng Zhao, Zhenhua Sun, Ho Seok Park, Guoxiu Wang, Jia-Qi Huang
{"title":"Designing Polysulfide-Resistant Solid Electrolyte Interphase for Long-Cycling Lithium–Sulfur Batteries","authors":"Chen-Xi Bi, Bo-Quan Li, Yu-Jie Zhu, Zheng Li, Zi-Xian Chen, Jin Ma, Meng Zhao, Zhenhua Sun, Ho Seok Park, Guoxiu Wang, Jia-Qi Huang","doi":"10.1002/aenm.71316","DOIUrl":"10.1002/aenm.71316","url":null,"abstract":"<div>\u0000 \u0000 <p>Lithium–sulfur (Li–S) batteries are promising next-generation energy storage systems due to their ultrahigh theoretical energy density. However, their practical application is critically hindered by severe lithium polysulfide (LiPS) corrosion at the Li metal anode, resulting in irreversible Li consumption and rapid cell failure. Herein, a lithium fluoride (LiF)-rich solid electrolyte interphase (SEI) is rationally designed and systematically validated to resist aggressive LiPS corrosion and to enable long-cycle Li–S batteries. Model SEI with LiF reduces the LiPS shuttle current by over 50% and increases the average Coulombic efficiency from 95.6% to 98.0% compared with the SEI without LiF. Building on this mechanistic insight, a robust LiF-rich SEI is prepared via a simple and scalable immersion method. As a result, the cycling lifespan of Li–S coin cells is extended from 54 to 105 cycles, and 3 Ah-level pouch cells exhibit a 28% improvement in cycling lifespan. Furthermore, a 9 Ah-level pouch cell achieves an actual energy density of 493 Wh kg<sup>−1</sup> and maintains stable operation for 28 cycles. This work elucidates the critical protective role of LiF in mitigating LiPS corrosion and provides a viable pathway toward long-cycling Li–S batteries.</p>\u0000 </div>","PeriodicalId":111,"journal":{"name":"Advanced Energy Materials","volume":"16 33","pages":""},"PeriodicalIF":25.5,"publicationDate":"2026-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148459689","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Liangmin Ning, Jiawen Wang, Jiazhen Shi, Kunhua Wang, Hao Yu, Shaodong Sun, Jiaoyang Wang, Min Fu, Long Jiao, Linjie Zhi
{"title":"Site-Specific d-Band Center Engineering With Gallium Enabling Efficient and Durable Hydrogen Evolution From Seawater","authors":"Liangmin Ning, Jiawen Wang, Jiazhen Shi, Kunhua Wang, Hao Yu, Shaodong Sun, Jiaoyang Wang, Min Fu, Long Jiao, Linjie Zhi","doi":"10.1002/aenm.71310","DOIUrl":"10.1002/aenm.71310","url":null,"abstract":"<div>\u0000 \u0000 <p>The efficiency of the alkaline hydrogen evolution reaction (HER) is fundamentally constrained by the scaling relationship between water dissociation and hydrogen adsorption/desorption steps. To achieve differentiated optimization of the reaction pathway, a Ni-Ga-Pt ternary catalyst with function-partitioned active sites was constructed in this work by introducing Ga. Through Ga mediation, a site-specific <i>d</i>-band center upshift at Ni sites enhanced hydroxyl (OH) adsorption, thereby accelerating water dissociation. Meanwhile, a downshifted <i>d</i>-band center by 0.22 eV at Pt sites optimized the hydrogen adsorption energy (ΔG<sub>H*</sub>) to a near-thermoneutral value of −0.08 eV. This synergistic mechanism reduced the water dissociation energy barrier by 24.5%, enabling the catalyst to achieve an ultralow overpotential of 26 mV at 10 mA cm<sup>−2</sup>. When integrated into an anion exchange membrane (AEM) electrolyzer using simulated seawater, the Ni-Ga-Pt-based cathode exhibits long-term stability by maintaining continuous operation at 500 mA cm<sup>−2</sup> for over 600 h, while significantly outperforming the Pt/C || NiFeO<sub>x</sub>-based benchmark device—thus highlighting its significant potential for industrial-scale seawater electrolysis. This study elucidates a <i>d</i>-band partitioning strategy from the perspective of orbital hybridization, providing a generalizable approach to the design of efficient and durable multi-step electrocatalysts.</p>\u0000 </div>","PeriodicalId":111,"journal":{"name":"Advanced Energy Materials","volume":"16 33","pages":""},"PeriodicalIF":25.5,"publicationDate":"2026-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148459616","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}