Molecular CatalysisPub Date : 2026-03-15Epub Date: 2026-02-07DOI: 10.1016/j.mcat.2026.115764
Ekta Yadav, Achena Saha, Shambhu Nath, Amrendra K. Singh
{"title":"Microwave-accelerated catalysis with Ru(II)-protic-NHC complexes for selective N-methylation of anilines using methanol as a sustainable C1 source","authors":"Ekta Yadav, Achena Saha, Shambhu Nath, Amrendra K. Singh","doi":"10.1016/j.mcat.2026.115764","DOIUrl":"10.1016/j.mcat.2026.115764","url":null,"abstract":"<div><div>A sustainable and atom-economic strategy for the selective <em>N</em>-methylation of anilines using methanol as a benign C1 source has been explored with Ru(II)-protic-NHC complexes, resulting in excellent performance under microwave irradiation. A series of Ru(II)-protic-N-heterocyclic carbene complexes bearing unsymmetrical CNN pincer ligands with benzimidazolylidene-based (<strong>Ru1-Ru4</strong>), triazolylidene-based (<strong>Ru5-Ru7</strong>), and newly synthesized imidazolylidene-based complexes (<strong>Ru8</strong> & <strong>Ru9</strong>) have been evaluated, among which the benzimidazolylidene complex <strong>Ru1</strong> exhibited outstanding catalytic performance. Under optimized conditions, <strong>Ru1</strong> achieved >99% conversion and excellent mono-<em>N</em>-methylation selectivity utilizing methanol as both the methyl donor and hydrogen source. Remarkably, microwave irradiation accelerated the reaction, reducing the time from 12 h (thermal) to just 35 min at 40°C with comparable efficiency. The method displays broad substrate scope, tolerating electron-donating, electron-withdrawing, heteroaromatic, and sterically hindered substrates to afford quantitative <em>N</em>-methylated products. Gram-scale synthesis confirmed the robustness and scalability of the process. Mechanistic studies, supported by NMR, mass spectrometry, and GC-MS analyses, along with control experiments, identified N-phenylmethanimine and N-phenylformamide as key intermediates in a borrowing-hydrogen pathway. The synergistic Ru-protic-NHC framework, combined with microwave-acceleration, provides a green, rapid, and scalable approach for the efficient N-methylation of anilines.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"593 ","pages":"Article 115764"},"PeriodicalIF":4.9,"publicationDate":"2026-03-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146186510","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Molecular CatalysisPub Date : 2026-03-01Epub Date: 2026-01-12DOI: 10.1016/j.mcat.2026.115704
Xinru Li , Jianfeng Zheng , Hongqiang Yang , Ying Shi , Qixiong Hou , Yan Cui , Zhanggen Huang
{"title":"Modulation of basic sites for enhanced COS hydrolysis performance over NaY zeolite catalysts","authors":"Xinru Li , Jianfeng Zheng , Hongqiang Yang , Ying Shi , Qixiong Hou , Yan Cui , Zhanggen Huang","doi":"10.1016/j.mcat.2026.115704","DOIUrl":"10.1016/j.mcat.2026.115704","url":null,"abstract":"<div><div>The hydrolysis of carbonyl sulfide (COS) to hydrogen sulfide (H<sub>2</sub>S) is of paramount importance in blast furnace gas (BFG) purification. In practical applications, the H<sub>2</sub>S/COS ratio fluctuates due to variations in ironmaking raw materials and operational conditions, while the inevitable presence of oxygen (O<sub>2</sub>) leads to catalyst deactivation, severely compromising the hydrolysis process. In this study, K-modified NaY zeolite catalysts were prepared via impregnation, and the effects of temperature, H<sub>2</sub>S/COS ratio, and O<sub>2</sub> concentration on COS hydrolysis performance were systematically investigated. Experimental results demonstrate that the NaY zeolite loaded with 10% KOH exhibits good adaptability to fluctuations in the H<sub>2</sub>S/COS ratio and possesses excellent oxygen resistance. Optimal catalytic performance was achieved at 100 °C with an H<sub>2</sub>S:COS ratio of 1:3 and an O₂ concentration of 0.3%, under which the COS hydrolysis efficiency exceeded 92% for 12 hours. Characterization results indicate that weak and medium-strength basic sites synergistically regulate adsorption/desorption behaviors and the local acid-base microenvironment. This synergy prevents issues such as insufficient reactant adsorption or hindered product desorption caused by the dominance of a single type of basic site, thereby significantly optimizing the COS hydrolysis performance. This study proposes an effective solution for COS hydrolysis and provides fundamental data for further catalyst optimization and industrial application.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"592 ","pages":"Article 115704"},"PeriodicalIF":4.9,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145947968","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Insights into the mechanism and stereoselectivity of chiral phosphoric acid‑catalyzed asymmetric Pictet–Spengler cyclization","authors":"Dong Xie , Hai-Rong Zhang , Xin-Ting He , Kai Wu , Hao Qiu , Zhe-Rui Zhang , Yu-Hao Qiao , Qinwei Yu , Pan-Pan Zhou","doi":"10.1016/j.mcat.2026.115754","DOIUrl":"10.1016/j.mcat.2026.115754","url":null,"abstract":"<div><div>Density functional theory (DFT) calculations were employed to elucidate the catalytic mechanism and stereoselectivity control in the chiral phosphoric acid (<strong>CPA</strong>)-catalyzed asymmetric Pictet-Spengler cyclization. The computational study reveals that the <strong>CPA</strong> catalyst initially promotes the dehydration condensation between N-arylindole derivatives and m-cyanobenzaldehyde to form an iminium ion intermediate, which subsequently undergoes intramolecular electrophilic substitution with the indole ring to afford the final product. Four possible reaction pathways were systematically investigated and compared, enabling the identification of the most favorable pathway leading to the major product as well as a competing pathway yielding the minor enantiomer. The roles of noncovalent interactions, particularly hydrogen bonding interactions, were examined using QTAIM and IGMH analyses. Furthermore, EDA analysis was performed to unravel the origin of the high enantioselectivity. The calculated e.e. value of 99% is in excellent agreement with experimental observations. This work provides valuable mechanistic insights into the <strong>CPA</strong>-catalyzed asymmetric Pictet-Spengler cyclization and is expected to guide the future design of related stereoselective transformations.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"592 ","pages":"Article 115754"},"PeriodicalIF":4.9,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146074336","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Molecular CatalysisPub Date : 2026-03-01Epub Date: 2026-01-30DOI: 10.1016/j.mcat.2026.115762
Ao Xu, Dan Yu, Jiayuan Gao, Xian Zhao, Haiyang Zhang, Yongchao Lu, Boai Li, Qing Su, Qiaolin Wu
{"title":"D-A type porous organic polymers with NDI/PDI units for efficient photocatalytic H2O2 production","authors":"Ao Xu, Dan Yu, Jiayuan Gao, Xian Zhao, Haiyang Zhang, Yongchao Lu, Boai Li, Qing Su, Qiaolin Wu","doi":"10.1016/j.mcat.2026.115762","DOIUrl":"10.1016/j.mcat.2026.115762","url":null,"abstract":"<div><div>This work reports the construction of two three–component conjugated porous polymers, denoted as NDI-POP and PDI-POP. These polymers incorporate naphthalene diimide (NDI) or perylene diimide (PDI) as acceptor units, with 2–hydroxy–1,3,5–benzenetetracarboxaldehyde (TP) and 2,4,6–trihydroxy–1,3,5–benzenetetracarboxaldehyde (DHTA) serving as donor units. By precisely regulating the donor–acceptor (D-A) synergistic interactions within the conjugated framework, the as–synthesized POPs exhibited a narrower bandgap, strong photocurrent response, and low impedance. Under visible light irradiation and an oxygen (O<sub>2</sub>) atmosphere, NDI-POP achieves a hydrogen peroxide (H<sub>2</sub>O<sub>2</sub>) production rate of 2000 μmol g<sup>–1</sup> h<sup>–1</sup> in pure water without the involvement of sacrificial reagents, which was 3.39 times of that achieved with the PDI-POP photocatalyst. Photocatalytic cycling experiments further confirm excellent recyclability for both materials. Additionally, controlled experiments verify that efficient H<sub>2</sub>O<sub>2</sub> production proceeds via 2e⁻ oxygen reduction reaction (ORR) pathway. This study provides valuable insights into the regulation of <span>d</span>-A type porous organic materials for enhanced H<sub>2</sub>O<sub>2</sub> generation.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"592 ","pages":"Article 115762"},"PeriodicalIF":4.9,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146074340","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Molecular CatalysisPub Date : 2026-03-01Epub Date: 2026-01-30DOI: 10.1016/j.mcat.2026.115763
Hui-Li Wu , Jia-Wei Liu , Chang-Long Tan , Zi-Rong Tang
{"title":"Dual-functional photoredox catalysis over Ni/CdS composite","authors":"Hui-Li Wu , Jia-Wei Liu , Chang-Long Tan , Zi-Rong Tang","doi":"10.1016/j.mcat.2026.115763","DOIUrl":"10.1016/j.mcat.2026.115763","url":null,"abstract":"<div><div>Selective photocatalytic dehydrogenation of saturated N-heterocycles represents a sustainable photoredox route for synthesizing valuable nitrogen-containing unsaturated heteroaromatic organics. Herein, we report a Ni-decorated 3D sea urchin-like CdS composite (Ni/CdS) as a dual-functional photocatalyst for the efficient and selective semi-dehydrogenation of 1,2,3,4-tetrahydroisoquinoline (THIQ) to 3,4-dihydroisoquinoline (DHIQ) coupled with H<sub>2</sub> evolution under visible light irradiation. The surface-decorated Ni nanoparticles significantly enhance the separation and transfer of photogenerated electron–hole pairs over Ni/CdS, and act as reactive sites for proton reduction to H<sub>2</sub>, thereby leading to the improved dual-functional photoredox catalysis. Mechanistic studies identify the carbon-centered radical (•CH(NH)C<sub>8</sub>H<sub>8</sub>) as a pivotal intermediate in the photocatalytic semi-dehydrogenation of THIQ. This study establishes an effective strategy for designing noble-metal-free photocatalytic systems that integrate selective organic transformations with H<sub>2</sub> evolution in a cooperative manner.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"592 ","pages":"Article 115763"},"PeriodicalIF":4.9,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146074841","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Molecular CatalysisPub Date : 2026-03-01Epub Date: 2026-01-21DOI: 10.1016/j.mcat.2026.115734
Zhiyong Fu , Xusheng Yang , Sirong Zhao , Shun Hu , Changsong Chen , Bin Xu , Zhen Xiang , Weidong Jiang
{"title":"Biotemplated construction of CoCu/Bio-CeO2 for efficiently boosting the tandem hydrogenation of nitroaromatics","authors":"Zhiyong Fu , Xusheng Yang , Sirong Zhao , Shun Hu , Changsong Chen , Bin Xu , Zhen Xiang , Weidong Jiang","doi":"10.1016/j.mcat.2026.115734","DOIUrl":"10.1016/j.mcat.2026.115734","url":null,"abstract":"<div><div>Tea pollen-template fabricated Bio-CeO₂ served as a support for developing the supported CoCu-based bimetallic catalysts (CoCu/Bio-CeO₂). The catalytic performance of the as-prepared CoCu/Bio-CeO₂ catalysts was evaluated in the tandem hydrogenation of nitroaromatic compounds. The templated Bio-CeO₂ support not only successfully replicates the natural porous structure of tea pollen, but also induces the catalyst reconstruction and compositional differentiation. In contrast to non-templated or sole metallic analogues, Bio-CeO<sub>2</sub>-supported CoCu-based nanocatalysts endow more promising catalytic performance. The one selected Co₁Cu₄/Bio-CeO₂ exhibited excellent reactivity, achieving a hydrogen production rate (HGR) of 422.2 mL·min⁻¹·gcat⁻¹ and a nearly 99% yield of m-chloraniline (m-CAN) in the in-situ hydrogenation of m-chloronitrobenzene (m-CNB) under mild conditions. High activity was remained accompanying with over 87% yield of m-CAN after six runs. Co₁Cu₄/Bio-CeO₂ displayed superior activity and good substrate adaptability in the tandem hydrogenation of aromatic nitro compounds bearing various functional groups. The high stability and desired catalytic performance of Co₁Cu₄/Bio-CeO₂ shall be attributed to intermetallic synergistic effect as well as strong interaction between active metal and the Bio-CeO₂ support.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"592 ","pages":"Article 115734"},"PeriodicalIF":4.9,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146035843","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Molecular CatalysisPub Date : 2026-03-01Epub Date: 2026-01-31DOI: 10.1016/j.mcat.2026.115766
Boxiang Li , Yan Liu , Jungang Wang , Qiang Wang , Qilong Xie , Wei Zhang , Shupeng Guo , Litao Jia , Congbiao Chen , Zhongyi Ma , Bo Hou , Debao Li
{"title":"Unveiling the role of the Co-Zr interface in Fischer-Tropsch synthesis using inverse Co-ZrO2 catalysts","authors":"Boxiang Li , Yan Liu , Jungang Wang , Qiang Wang , Qilong Xie , Wei Zhang , Shupeng Guo , Litao Jia , Congbiao Chen , Zhongyi Ma , Bo Hou , Debao Li","doi":"10.1016/j.mcat.2026.115766","DOIUrl":"10.1016/j.mcat.2026.115766","url":null,"abstract":"<div><div>This study clarifies the ambiguous promotional mechanism of ZrO₂ in conventional cobalt-based Fischer-Tropsch synthesis (FTS) catalysts by constructing inverse Co-ZrO₂ model systems. Hexagonal close-packed (HCP) Co nanocrystals with well-defined exposed facets ((10–11), (0001), (11–20)) were synthesized, and ZrO₂ was deposited onto their surfaces to eliminate interference from traditional supports. The optimal catalyst (NMS-Co-4Zr, 10–11) facets with 4wt% Zr) achieves exceptional performance: 93.9% C<sub>5</sub><sup>+</sup> selectivity with ≤1.7% CH₄ formation at 170 °C, accompanied by robust 240 h stability. Advanced characterizations confirm the formation of Co-Zr interface, where electron transfer from ZrO<sub>2</sub> to Co facilitates the dissociation of CO and H₂. Notably, the promotional effect of the Co-Zr interface is universal across different Co facets: it lowers reaction temperatures by 30–110 °C and elevates C<sub>5</sub><sup>+</sup> selectivity to 85.5–93.9% for all modified catalysts. This work establishes the Co-Zr interface as a structure-independent activity descriptor, providing a paradigm for targeted interfacial engineering in the design of high-efficiency FTS catalysts.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"592 ","pages":"Article 115766"},"PeriodicalIF":4.9,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146074334","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Molecular CatalysisPub Date : 2026-03-01Epub Date: 2026-01-29DOI: 10.1016/j.mcat.2026.115748
Mingyu Xie , Meixian Li , Weibin Liang, Xiyan Chen, Le Yang
{"title":"Investigation on the effect of Na on Fe-Cu-Ce catalysts for ambient pressure hydrogenation of CO2 into olefins","authors":"Mingyu Xie , Meixian Li , Weibin Liang, Xiyan Chen, Le Yang","doi":"10.1016/j.mcat.2026.115748","DOIUrl":"10.1016/j.mcat.2026.115748","url":null,"abstract":"<div><div>Na is a performance enhancing and indispensable active species in Fe-based catalysts for CO<sub>2</sub> hydrogenation to olefin, as it promotes the formation of Fe<sub>5</sub>C<sub>2</sub> and the adsorption of CO<sub>2</sub>. The effect of Na is extensive far beyond this point and needs further investigation. Herein, the role of Na in the Fe-Cu-Ce catalysts is explored on NaFeCuCe and FeCuCe, which are prepared using NaOH and NH<sub>3</sub>·H<sub>2</sub>O, respectively. It is found that Fe<sub>5</sub>C<sub>2</sub> abundance, Ce-O bond strength and Cu<sup>0</sup>/Cu<sup>+</sup> compositions can be regulated via the doping of Na. The addition of Na significantly increases the abundance of Fe<sub>5</sub>C<sub>2</sub>, promoting both RWGS and FTS processes with higher conversion and olefin selectivity. Na also weakens Ce-O bond and thus facilitates adsorption and activation of CO<sub>2</sub>. Cu exists in the form of Cu<sup>0</sup> in NaFeCuCe while in the state of Cu<sup>+</sup> in FeCuCe, and it is proposed that Cu<sup>0</sup> performs more moderate in hydrogenation than Cu<sup>+</sup>, therefore inhibiting over hydrogenation. Notably, the differentiation of C in Fe-C and coke is distinguished using O<sub>2</sub>-TPD-MS and CO<sub>2</sub>-TPD-MS. Less coke is generated on NaFeCuCe, as carbon is more inclined to bond with Fe to form Fe<sub>5</sub>C<sub>2</sub>. Furthermore, Fe-C and Fe-O are distinguished using DRIFTS, with characteristic peaks at 875 and ∼860 cm<sup>-1</sup>, respectively. The synergistic effect of Ce-O<sub>v</sub>, Cu<sup>0</sup> and Fe<sub>5</sub>C<sub>2</sub> enables NaFeCuCe to achieve a CO<sub>2</sub> conversion of 16.8% and an olefin selectivity of 58.4% under ambient pressure at 300 °C. Compared with FeCuCe, the olefin selectivity is nearly 3.3 times higher.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"592 ","pages":"Article 115748"},"PeriodicalIF":4.9,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146074338","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Molecular CatalysisPub Date : 2026-03-01Epub Date: 2026-01-30DOI: 10.1016/j.mcat.2026.115753
Shiyi Song , Yajun Wu , Jiacheng Hu , Yuan Hu , Xiaoqing Zhao
{"title":"Machine learning-assisted improving of C3N2 configurations: transition-metal doped for enhanced bifunctional oxygen electrocatalysis","authors":"Shiyi Song , Yajun Wu , Jiacheng Hu , Yuan Hu , Xiaoqing Zhao","doi":"10.1016/j.mcat.2026.115753","DOIUrl":"10.1016/j.mcat.2026.115753","url":null,"abstract":"<div><div>To tackle the kinetic constraint of cathode oxygen reactions in energy conversion devices, this study designs high-performance bifunctional ORR/OER electrocatalysts via doping 3d and 4d transition metals into two C<sub>3</sub>N<sub>2</sub> configurations (PC<sub>3</sub>N<sub>2</sub>, IC<sub>3</sub>N<sub>2</sub>). Single-atom doped IC<sub>3</sub>N<sub>2</sub> displays enhanced stability. For ORR, the ORR overpotential (<em>η</em>) values of Cu-PC<sub>3</sub>N<sub>2</sub>, Pd-PC<sub>3</sub>N<sub>2</sub>, and Pd-IC<sub>3</sub>N<sub>2</sub> are 0.41, 0.45, and 0.31 V, respectively, indicating that they possess good ORR catalytic activity. For OER, the <em>η</em><sup>OER</sup> values of Pd-PC<sub>3</sub>N<sub>2</sub> and Pd-IC<sub>3</sub>N<sub>2</sub> are 0.21 and 0.53 V respectively, indicating that they possess good OER catalytic potential. For bifunctional catalytic activity, Pd-PC<sub>3</sub>N<sub>2</sub> exhibits the best bifunctional catalytic activity, with a bifunctional index value of only 0.66 V. Moreover, the Random Forest Regression model effectively predicts catalytic performance, achieving an R<sup>2</sup> of up to 0.906 and an RMSE of 0.213. This work provides guidance for designing efficient electrocatalysts and highlights machine learning’s utility in catalysis research.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"592 ","pages":"Article 115753"},"PeriodicalIF":4.9,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146074344","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Molecular CatalysisPub Date : 2026-03-01Epub Date: 2026-01-16DOI: 10.1016/j.mcat.2026.115720
Zandong Zhang , Chen Lei , ChenYu Xia , Xiaoyan Wang , Zhihui Jiang , Yang Qu , Dan Li , Xin Qu , Jingsong Li , Jie Wang , Jimmy Yun , Jie Zhang , Hong Zhao , Zuobo Yang
{"title":"Etching-reconstruction enhanced Ni-W-Zn ternary alloy hydrogen evolution reaction electrode","authors":"Zandong Zhang , Chen Lei , ChenYu Xia , Xiaoyan Wang , Zhihui Jiang , Yang Qu , Dan Li , Xin Qu , Jingsong Li , Jie Wang , Jimmy Yun , Jie Zhang , Hong Zhao , Zuobo Yang","doi":"10.1016/j.mcat.2026.115720","DOIUrl":"10.1016/j.mcat.2026.115720","url":null,"abstract":"<div><div>The development of non-precious metal electrocatalysts for the hydrogen evolution reaction (HER) that combine high activity, durability, and cost-effectiveness for industrial alkaline water electrolysis remains a significant challenge. Herein, we report a Ni-W-Zn ternary alloy electrode engineered through a synergistic strategy of composition optimization and surface reconstruction. A fine-grained Ni-W-Zn alloy was first prepared by controlled electrodeposition. Subsequent electrochemical etching selectively dissolved Zn and modulated the oxidation states of Ni and W, simultaneously constructing a three-dimensional (3D) porous network structure on the electrode surface. This strategy simultaneously reduced internal stress, suppressed the hydrogen evolution side reaction during electrodeposition, and mitigated hydrogen embrittlement during the preparation process, thereby significantly mitigating hydrogen embrittlement during the preparation process by forming a denser coating that acts as a barrier against hydrogen penetration. This unique architecture significantly increased the electrochemical surface area and exposed more active sites. The optimized electrode exhibited exceptional HER performance in 1.0 M KOH, requiring low overpotentials of only 18.0 mV and 215.1 mV to achieve current densities of 10 mA cm⁻² and 500 mA cm⁻², respectively. Furthermore, it demonstrated outstanding long-term stability, showing negligible performance degradation over 200 h of continuous operation at 500 mA cm⁻². When employed as a cathode in an alkaline electrolyzer, the cell voltage was only 1.688 V at 100 mA cm⁻². After a 200-hour stability test, the voltage increase rate was only 0.24 mV/h, demonstrating good durability. This work highlights electrochemical etching as a powerful post-treatment technique for fabricating high-performance, stable HER electrodes, offering a promising avenue for large-scale hydrogen production.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"592 ","pages":"Article 115720"},"PeriodicalIF":4.9,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145975555","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}