ACS Catalysis 最新文献

{"title":"Voltage-Driven Navigation of Rh(III/IV/V) Oxidation States: Unraveling Mechanistic Secrets and Selectivity in Electrochemical C–H Activation/Annulation","authors":"Ya-Qi Wu, Peng Liu, Man Li, Rong-Zhen Liao","doi":"10.1021/acscatal.5c03703","DOIUrl":"https://doi.org/10.1021/acscatal.5c03703","url":null,"abstract":"Electrochemically driven rhodium-catalyzed C–H bond annulation represents a promising strategy for achieving challenging transformations in organic synthesis, utilizing electrons as the sole redox reagent. However, the influence of electrochemical conditions on the reaction mechanism remains underexplored. Through computational analysis of the critical elementary steps─C–H activation, migratory insertion, β-H elimination, and reductive elimination─we delineate the distinct roles of Rh(III), Rh(IV), and Rh(V) oxidation states under electrochemical conditions. Our findings demonstrate that C–H activation is most favorable at Rh(III), while migratory insertion could occur at both Rh(III) and Rh(IV). The β-H elimination is facilitated at Rh(IV), and reductive elimination proceeds exclusively at Rh(V). Furthermore, by modulating the applied potential with a threshold of 0.96 V, the selectivity between five- and six-membered ring products can be finely controlled. These findings provide valuable mechanistic insights into transition metal catalyzed electrochemical C–H activation/annulation, offering guidance for future synthetic applications.","PeriodicalId":9,"journal":{"name":"ACS Catalysis ","volume":"9 1","pages":""},"PeriodicalIF":12.9,"publicationDate":"2025-07-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144693905","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Revealing the Fundamental Origin of the CO-Free Pathway Selectivity in Alkaline Methanol Electrooxidation on Bi-Modified Pt","authors":"Lecheng Liang, Hengyu Li, Peng Li, Jinhui Liang, Shao Ye, Binwen Zeng, Mingjia Lu, Yanhong Xie, Yucheng Wang, Taisuke Ozaki, Shengli Chen, Zhiming Cui","doi":"10.1021/acscatal.5c02098","DOIUrl":"https://doi.org/10.1021/acscatal.5c02098","url":null,"abstract":"A long-standing puzzle for methanol electrooxidation is the fundamental understanding of the origin of electrocatalytic selectivity. Herein, we unequivocally demonstrate that the Bi-modified Pt/C follows a CO-free dominated pathway during alkaline methanol electrooxidation and unveil the formaldehyde (HCHO) intermediate as a critical factor influencing pathway selectivity. These findings are substantiated by kinetic isotope effects, formate Faradaic efficiency, in situ spectroscopy, ab initio molecular dynamics simulations, and density functional theory calculations. Bi modification significantly increases the HCHO dehydrogenation barrier, which facilitates its desorption and subsequent conversion to the H₂COOH^– anion at the alkaline interface, intrinsically avoiding CO formation. More specifically, the formation of ensemble sites featuring a V-shaped Bi–Pt–Bi configuration inhibits the cleavage of the C–H bond, and the weak OH binding energy at Bi adatoms effectively prevents blockage of oxygenated species, allowing such ensemble sites to fulfill their functional role. This work provides in-depth insights into the origins of pathway selectivity and benefits the theory-guided design of advanced CO-free electrocatalysts.","PeriodicalId":9,"journal":{"name":"ACS Catalysis ","volume":"115 1","pages":""},"PeriodicalIF":12.9,"publicationDate":"2025-07-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144693646","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Architecting Covalent Organic Frameworks across Dimensions for Efficient H2O2 Photoproduction","authors":"Jie-Yu Yue, Zi-Shuo Xu, Jing-Xian Luo, Peng Yang, Bo Tang","doi":"10.1021/acscatal.5c03118","DOIUrl":"https://doi.org/10.1021/acscatal.5c03118","url":null,"abstract":"Rational design of dimensionally diverse covalent organic frameworks (COFs) with tailored functions has attracted much attention. However, the dimension and photocatalytic activity correlation remain confused, severely restricting the construction of efficient photocatalysts. Herein, we present a comprehensive investigation into the dimensional control of COFs for boosting overall H₂O₂ photogeneration. We ingeniously designed BYTT-COF and BYTD-COF with similar chemical compositions but distinct dimensionalities, which exhibit significant differences in H₂O₂ photosynthetic activity. Without any sacrificial agents, 2D BYTT-COF achieves an impressive H₂O₂ evolution rate of 9461 μmol g^–1 h^–1, 1.6 times higher than its 1D counterpart BYTD-COF, with a solar-to-chemical conversion efficiency of 1.02%. Extensive experimental and theoretical investigations indicate that while BYTT-COF and BYTD-COF possess similar photoredox catalytic centers, dimensional control implemented in BYTT-COF leads to an optimized spatial arrangement of catalytic sites and enhanced charge separation efficiency relative to BYTD-COF. Consequently, the activation energy barriers associated with *HOOH desorption and *OH formation within the H₂O₂ evolution dual paths are lower for BYTT-COF compared to BYTD-COF. Furthermore, solid H₂O₂ can be sustainably prepared from air, water, and natural sunlight by BYTT-COF. This study provides valuable insights into the dimensional engineering of COFs toward high-performance photocatalysts.","PeriodicalId":9,"journal":{"name":"ACS Catalysis ","volume":"14 1","pages":""},"PeriodicalIF":12.9,"publicationDate":"2025-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144678341","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Enantioselective Synthesis of N–N Indole-Pyrrole Atropisomers via Palladium/Chiral Phosphonic Acid Relay Catalysis","authors":"Dayuan Wang, Jiayi Zong, Boxuan Zhang, Jiahao Wang, Bowen Wang, Huri Piao, Dang Cheng, Jinfei Lin, Zhiran Ju, Miaolin Ke, Fener Chen","doi":"10.1021/acscatal.5c02849","DOIUrl":"https://doi.org/10.1021/acscatal.5c02849","url":null,"abstract":"N–N atropisomers have emerged as indispensable structural motifs in natural products, medicinal chemistry, and asymmetric catalysis due to their unique stereochemical properties. Herein, we introduce an innovative synthetic methodology for the enantioselective construction of N–N indole-pyrrole atropisomers through palladium/chiral phosphonic acid (CPA) relay catalysis. This process involves allylic alkylation, condensation, and dehydration between vinyl methylene cyclic carbonates and <italic toggle=\"yes\">N</italic>-amino-indoles, enabling the efficient synthesis of structurally diverse N–N atropisomers with excellent yields (up to 92%) and exceptional enantiocontrol (up to 99% <italic toggle=\"yes\">ee</italic>). Furthermore, biological evaluation revealed that compounds <bold>3ta</bold>, <bold>3sa</bold>, <bold>3ca</bold>, <bold>3bd</bold>, and <bold>3bi</bold> demonstrate potent anti-inflammatory activity, significantly inhibiting nitric oxide (NO) production in LPS-stimulated RAW264.7 macrophages.","PeriodicalId":9,"journal":{"name":"ACS Catalysis ","volume":"29 1","pages":""},"PeriodicalIF":12.9,"publicationDate":"2025-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144665083","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Bidentate Ligand-Engineered MOF-Based Cu Single-Atom Catalyst for Selective Conversion of Organic Azides into Unsymmetrical Carbonyls via Functionalized Building Units and Atomic Regulation","authors":"Wen-Yu Luo, Ying-Ying Xu, Fei Wen, Ze-Long Sun, Zhuo Li, Chengyi Dai, Lin-Yu Jiao, Mingyue Ding","doi":"10.1021/acscatal.5c03581","DOIUrl":"https://doi.org/10.1021/acscatal.5c03581","url":null,"abstract":"The construction of unsymmetrical molecular structures has been a long-standing challenge in organic chemistry, particularly in the field of unsymmetrical carbonyls, which requires precise control over reaction selectivities. In this study, we introduced an innovative protocol that facilitates the one-step, completely selective preparation of a series of unsymmetrical carbonates, ureas, and carbamates from conventional carbonyl azides with the complete dissociation of the azido group. Leveraging the structural programmability of metal–organic frameworks (MOFs), we implemented a dual-modification strategy involving: (i) precise tailoring of functional building blocks with Schiff-base linkage to construct the microenvironment of the scaffold and (ii) coordination of copper species onto the predesigned <italic toggle=\"yes\">N</italic>,<italic toggle=\"yes\">N</italic>-bidentate ligand, ultimately fabricating a MOF-based Cu single-atom catalyst with defined activities. Furthermore, density functional theory (DFT) calculations revealed that the activation of nucleophiles and the subsequent attack on the carbonyl group are involved in the rate-determining step. The protocol not only allows for fine-tuned modulation of the Cu coordination environment but also ensures stable immobilization of Cu single atoms. This work underscores the pivotal role of a single-atom catalyst in the transformation of organic azides into unsymmetrical carbonyls, as well as their critical contribution in reactivity and selectivity control in organic synthesis.","PeriodicalId":9,"journal":{"name":"ACS Catalysis ","volume":"25 1","pages":""},"PeriodicalIF":12.9,"publicationDate":"2025-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144665132","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"In3+-Induced In–O–Sn Superexchange and Oxygen Vacancies Synergistically Boosting Acidic CO2‑to-HCOOH Electrolysis at Ampere-Current Levels over Sn-Based Perovskite Oxides","authors":"Junjie Zhu, Hongyan Zhao, Qi Wang, Haijiao Kong, Xiaoyue Tu, Yu Zhang, Zhi-Hui Lv, Zhenbao Zhang, Xiangjian Liu, Zhen Xue, Lei Shi, Xin-Ming Hu, Jiawei Zhu, Heqing Jiang, Yongfa Zhu","doi":"10.1021/acscatal.5c03473","DOIUrl":"https://doi.org/10.1021/acscatal.5c03473","url":null,"abstract":"Sn-based catalysts feature significant potential for acidic CO₂ electroreduction (CO₂RR) to HCOOH, but encounter unsatisfactory selectivity and poor stability, especially at high current densities. Here, we report In³⁺-induced In–O–Sn superexchange and oxygen vacancies synergistically enabling ampere-level, selective, and stable CO₂-to-HCOOH electroreduction over Sn-based perovskite oxides in a strong acid. For the proof-of-concept catalysts of SrSn_{1–<italic toggle=\"yes\">x</italic>}In_{<italic toggle=\"yes\">x</italic>}O_3−δ (<italic toggle=\"yes\">x</italic> = 0.05, 0.1, and 0.2), In³⁺ introduction not only generates additional oxygen vacancies but also engenders marked In–O–Sn superexchange. This superexchange modulates electronic structures, including the upward-shifted band center (<italic toggle=\"yes\">e.g.</italic>, Sn 5p) and the strengthened Sn–O bond covalency. In HCOOH production, relative to the parent SrSnO₃, the SrSn_{1–<italic toggle=\"yes\">x</italic>}In_{<italic toggle=\"yes\">x</italic>}O_3−δ series demonstrate enhancements in activity and selectivity (more pronounced with In³⁺ content) while also featuring significantly boosted stability. In strong acid (pH = 1), SrSn_0.8In_0.2O_3−δ achieves high HCOOH selectivity of 91.2% at 1 A cm^–2 and a single-pass carbon efficiency of up to 81.0%, together with a steady operation over 80 h, outperforming previously reported Sn-based catalysts. Our experiments and theoretical calculations attribute these performance improvements to the following factors: the superexchange-shifted band centers and the additional oxygen vacancies synergistically facilitating *CO₂ protonation to *OCHO; the superexchange-strengthened Sn–O bond covalency stabilizing the Sn–O lattice.","PeriodicalId":9,"journal":{"name":"ACS Catalysis ","volume":"24 1","pages":""},"PeriodicalIF":12.9,"publicationDate":"2025-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144678340","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Mesoporous Oxyhalide Aggregates Exhibiting Improved Photocatalytic Activity for Visible-Light H2 Evolution and CO2 Reduction","authors":"Hiroto Ueki, Toshiya Tanaka, Shuji Anabuki, Ryuichi Nakada, Megumi Okazaki, Kenta Aihara, Masashi Hattori, Fumitaka Ishiwari, Rie Haruki, Shunsuke Nozawa, Toshiyuki Yokoi, Michikazu Hara, Osamu Ishitani, Akinori Saeki, Akira Yamakata, Kazuhiko Maeda","doi":"10.1021/acscatal.5c02229","DOIUrl":"https://doi.org/10.1021/acscatal.5c02229","url":null,"abstract":"Oxyhalides are promising visible-light photocatalysts for water splitting and CO₂ conversion; however, those exhibiting high activity for these reactions have rarely been reported. Here, we show that using water-soluble Ti complexes as precursors in the microwave-assisted hydrothermal synthesis of the oxyhalide photocatalyst Pb₂Ti₂O_5.4F_1.2 (PTOF) resulted in the production of nanoparticulate PTOF. The primary particle size of the synthesized PTOF ranged from several tens of nanometers to several hundreds of nanometers. Using Ti-citric acid or Ti-tartaric acid complexes as precursors, the PTOF was formed as mesoporous aggregates, compared with a bulky analogue (0.5–1 μm) prepared using a TiCl₄ precursor. The PTOF prepared from Ti-citric acid complex had a particle size of 50–100 nm and showed a one-order-of-magnitude greater activity for H₂ evolution from an aqueous ethylenediaminetetraacetic acid solution with the aid of a Rh cocatalyst. An apparent quantum yield (AQY) of 15.4 ± 1.0% at 420 nm, which is the highest among the reported oxyhalide photocatalysts, was achieved under optimal conditions. Although excess particle size reduction of PTOF lowered the H₂ evolution activity, the PTOF with the smallest possible primary particle size of 15–30 nm, prepared from Ti-tartaric acid complex, showed the highest activity toward the selective reduction of CO₂ into formate in a nonaqueous environment when combined with a binuclear Ru­(II) complex. The CO₂ reduction AQY was 10.4 ± 1.8% at 420 nm, a record-high value among metal-complex/semiconductor binary hybrid photocatalysts. This study highlights the importance of morphological control of oxyhalides for realizing their full potential as photocatalysts for artificial photosynthesis.","PeriodicalId":9,"journal":{"name":"ACS Catalysis ","volume":"76 1","pages":""},"PeriodicalIF":12.9,"publicationDate":"2025-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144678342","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Visible Light Promotes PIII/PV‑Catalyzed Reductive N‑Arylation of Nitroarenes at Room Temperature","authors":"Bora Kang, Marissa N. Lavagnino, Jesse B. Gordon, Kristopher G. Reynolds, Daniel G. Nocera, Alexander T. Radosevich","doi":"10.1021/acscatal.5c04341","DOIUrl":"https://doi.org/10.1021/acscatal.5c04341","url":null,"abstract":"Visible-light irradiation is found to accelerate the reductive coupling of nitroarenes and arylboronic acids under the conditions of P^III/P^V catalysis. Specifically, blue-light (λ_exc = 427 nm) illumination of a catalytic mixture composed of a redox active main group catalyst (1,2,2,3,4,4-hexamethylphosphetane <italic toggle=\"yes\">P</italic>-oxide, i.e., <bold>P</bold>·[O]) and terminal reductant (1,3-diphenyldisiloxane) enables formation of diarylamines from nitroarenes and arylboronic acids at ambient temperature. In situ ³¹P NMR data demonstrate the importance of fast in situ P^VO → P^III reduction by the hydrosilane reductant to permit productive room temperature reductive coupling. Moreover, the present photochemical method expands the scope of the organophosphorus-catalyzed reductive coupling reaction to accommodate 2,6-disubstituted nitroarenes, which were previously poorly reactive under prior thermal (dark) reaction conditions. Transient absorption experiments are consistent with excitation of the nitroarene to generate a triplet excited state, which is quenched by intermolecular electron transfer from the P^III resting state of the catalyst with rate constants near the diffusion-controlled limit (<italic toggle=\"yes\">k</italic> _q = 2.93 × 10⁹ M^–1 s^–1). These results establish the successful interface of a P^III/P^V catalytic cycle with photon input, suggesting additional opportunities for photodriven methods that exploit organophosphorus-based catalytic intermediates.","PeriodicalId":9,"journal":{"name":"ACS Catalysis ","volume":"96 1","pages":""},"PeriodicalIF":12.9,"publicationDate":"2025-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144665150","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A Combined Density Functional Theory and Microkinetics Simulation Study of Electrochemical CO2 Reduction on Ceria-Supported Bismuth","authors":"Zhaochun Liu, Bart Klumpers, Ivo A. W. Filot, Emiel J. M. Hensen","doi":"10.1021/acscatal.5c02774","DOIUrl":"https://doi.org/10.1021/acscatal.5c02774","url":null,"abstract":"Direct electrochemical CO₂ reduction (ECR) into carbon-based fuels and chemicals is a promising way to upgrade waste CO₂ with renewable energy, contributing to closing carbon cycles and mitigating climate change. Here, we investigate the ECR of Bi–CeO₂ catalysts. Using a combination of density functional theory (DFT), artificial neural networks (ANN), genetic algorithms (GA), and microkinetics simulations, we conducted a comprehensive exploration of active sites, the CO₂-to-formic acid (HCOOH) mechanism and the electrochemical behavior of Bi_{<italic toggle=\"yes\">x</italic>}/CeO₂ catalysts. Three representative models were investigated: (i) a Bi atom adsorption on CeO₂ (Bi₁/CeO₂), (ii) a single Bi atom doped in the CeO₂ surface (Bi₁–CeO₂), and (iii) a small cluster of eight Bi atoms adsorbed on CeO₂ (Bi₈/CeO₂). ANN-GA was employed to identify the optimal structure of the Bi₈ clusters on the CeO₂ surface. Our investigation shows various reaction pathways for converting CO₂ to HCOOH and CO. For the structural models featuring Bi on the surface, the HCOO pathway toward HCOOH is the predominant one. Bi doping in CeO₂ predominantly favors the COOH pathway, resulting in CO as the main product. The former models leading to HCOOH exhibit higher current densities than the doped model, which mainly produces CO. Electronic structure analysis shows that stronger electron donation in the Bi₁/CeO₂ model enhances HCOOH current densities by weakening the O–H bond and stabilizing the transition state. We discuss the kinetic differences in current density and selectivity as a function of the electrochemical potential. These findings not only elucidate various CO₂ conversion pathways, which can explain the formation of desirable HCOOH and unwanted CO, but also offer theoretical guidance for the design of electrocatalysts.","PeriodicalId":9,"journal":{"name":"ACS Catalysis ","volume":"20 1","pages":""},"PeriodicalIF":12.9,"publicationDate":"2025-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144665119","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Unveiling Dominant Active Sites in CD3OD Synthesis on Cu-Based Catalysts: Coverage-Dependent Microkinetic Modeling","authors":"Long Zhao, Zihao Yao, Fangjun Shao, Jianguo Wang","doi":"10.1021/acscatal.5c02024","DOIUrl":"https://doi.org/10.1021/acscatal.5c02024","url":null,"abstract":"Deuterated methanol (CD₃OD) is widely utilized as a deuterium source in nuclear magnetic resonance solvents and the development of deuterium-labeled pharmaceuticals. However, the predominant active sites and underlying reaction mechanisms governing the synthesis of CD₃OD from CO and deuterium gas (D₂) over Cu-based catalysts remain elusive. In this study, we develop a microkinetic model, incorporating adsorbate–adsorbate interactions based on first-principles calculations, to comprehensively elucidate the mechanism of CO deuteration. This coverage-dependent model highlights the crucial role of intermediate coverage effects, identifying Cu(110) as the dominant active site. At 513.15 K, the model predicts a turnover frequency (TOF) of 1.41 × 10³ s^–1, in good agreement with experimental data, whereas the coverage-independent model yields an unrealistically low TOF of 3.7 × 10^–10 s^–1. Furthermore, the coverage-dependent model successfully reproduces the volcano-shaped trend observed in catalytic activity and selectivity across the entire temperature range, addressing inconsistencies in conventional models. Our findings reveal that Cu(110) and Cu(211) surfaces, enriched with CO and CD₃O species, significantly enhance CD₃OD production. The CD₃O intermediate is identified as the key surface species, with reaction pathways exhibiting substantial variation as a function of surface coverage.","PeriodicalId":9,"journal":{"name":"ACS Catalysis ","volume":"24 1","pages":""},"PeriodicalIF":12.9,"publicationDate":"2025-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144652551","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}