Ruolin Li, Zepeng Zhang, Xin Wang, Xiaoxue Zhao, Mi Li, Huanfei Xu and Caoxing Huang
{"title":"Revealing the mechanism of phenoxyethanol-acid pretreatment for removing lignin from bamboo: kinetic analysis and simulation analysis†","authors":"Ruolin Li, Zepeng Zhang, Xin Wang, Xiaoxue Zhao, Mi Li, Huanfei Xu and Caoxing Huang","doi":"10.1039/D4GC05021E","DOIUrl":"https://doi.org/10.1039/D4GC05021E","url":null,"abstract":"<p >To explore the mechanism of structural destruction of bamboo residues (BR) in a phenoxyethanol/H<small><sub>2</sub></small>SO<small><sub>4</sub></small> biphasic pretreatment system, a kinetic model for removing lignin and xylan, molecular dynamics (MD) simulations, and density functional theory (DFT) calculations for delignification were investigated. The delignification and xylan removal rate for BR reached 84.1% and 92.8%, respectively at 120 °C, with 1.4% H<small><sub>2</sub></small>SO<small><sub>4</sub></small> concentration, leading to an enzymatic hydrolysis yield of 97.27%. Kinetic model analysis revealed that the activation energies of delignification and xylan removal were 68.0 kJ mol<small><sup>−1</sup></small> and 77.5 kJ mol<small><sup>−1</sup></small>, respectively. MD simulations and DFT calculations revealed that phenoxyethanol mainly bound the lignin compound of veratrylglycerol-β-guaiacyl ether (VG) by van der Waals forces (8900–10 100 kJ mol<small><sup>−1</sup></small>), thereby enhancing the solubility of lignin during the pretreatment process. The hydroxyl group in VG and phenoxyethanol played a crucial role in their interaction. The number of hydrogen bonds formed by phenoxyethanol and the hydroxyl group in VG is ∼8. An independent gradient model based on Hirshfeld partition and electrostatic potential analysis indicated that with the increased addition of H<small><sub>2</sub></small>SO<small><sub>4</sub></small> in the biphasic pretreatment system, the hydrogen bonding interactions and van der Waals forces between the H atom in phenoxyethanol hydroxyl and O atom in lignin hydroxyl groups could be enhanced, which is beneficial for the dissolution of lignin through intermolecular forces during the pretreatment process. Overall, this work provided a theoretical insight to understand the removal process of lignin during the phenoxyethanol/H<small><sub>2</sub></small>SO<small><sub>4</sub></small> biphasic system.</p>","PeriodicalId":78,"journal":{"name":"Green Chemistry","volume":" 11","pages":" 3044-3063"},"PeriodicalIF":9.3,"publicationDate":"2025-02-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143580965","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}
Keerti S. Kappagantula , Yuan Jiang , Francesca Pierobon , MD Reza E. Rabby , Jose Ramos , Yelin Ni , Aditya Nittala , Jaelynne King , Ethan Nickerson , Nicholas C. Nelson , Wontae Joo , Raveen John , John C. Linehan , Raul N. Aranzazu , Satish K. Nune , David J. Heldebrant
{"title":"Carbon dioxide-negative composite materials: an economically viable solution for CO2 sequestration†","authors":"Keerti S. Kappagantula , Yuan Jiang , Francesca Pierobon , MD Reza E. Rabby , Jose Ramos , Yelin Ni , Aditya Nittala , Jaelynne King , Ethan Nickerson , Nicholas C. Nelson , Wontae Joo , Raveen John , John C. Linehan , Raul N. Aranzazu , Satish K. Nune , David J. Heldebrant","doi":"10.1039/d4gc05692b","DOIUrl":"10.1039/d4gc05692b","url":null,"abstract":"<div><div>Anthropogenic emissions of CO<sub>2</sub> have nearly exhausted our carbon budget, putting the world on a trajectory toward irreversible climate change. CO<sub>2</sub> emissions must be reversed in coming decades to avoid global warming past the 2 °C target. Recent approaches have focused on recycling CO<sub>2</sub> into fuels and chemicals to create sufficient financial incentives to pay for CO<sub>2</sub> removal and geological sequestration. These technologies aim to produce fuels and chemicals at quantities relevant to global markets while also recycling a meaningful amount of CO<sub>2</sub>. While promising, these technologies are CO<sub>2</sub>-neutral at best. Truly negative emission technologies will require significant quantities of durable, fungible products that sequester hundreds of millions of tonnes of CO<sub>2</sub>. We present an economically viable approach to sequestering hundreds of thousands of tonnes of CO<sub>2</sub> per year in polymer composites made from CO<sub>2</sub>-functionalized lignin or lignite fillers mixed with a high-density polyethylene (HDPE) matrix. CO<sub>2</sub> is chemically fixed to polymeric phenols <em>via</em> C–C bond formation at the lignin or lignite surface, storing about 2–4.2 wt% of CO<sub>2</sub>. Composites produced with the CO<sub>2</sub>-functionalized fillers and HDPE have mechanical properties that meet international building code standards for decking, a multi-billion-dollar market. A techno-economic analysis and life cycle assessment suggest that CO<sub>2</sub>-functionalized lignin and lignite fillers have favorable economic potential. These composites could reduce greenhouse gas emissions up to 62% over conventional wood plastic composites or be CO<sub>2</sub>-negative within 20 years when manufactured with renewable electricity, recycled high-density polyethylene and if extra CO<sub>2</sub> is captured and sequestered in the ground. The composites can achieve a net-negative global warming potential after 54 years for the CO<sub>2</sub> solely stored in the composites.</div></div>","PeriodicalId":78,"journal":{"name":"Green Chemistry","volume":"27 9","pages":"Pages 2392-2403"},"PeriodicalIF":9.3,"publicationDate":"2025-01-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/gc/d4gc05692b?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143474980","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Ha Phan , Pol de la Cruz-Sánchez , María Jesús Cabrera-Afonso , Belén Martín-Matute
{"title":"Auto-relay catalysis for the oxidative carboxylation of alkenes into cyclic carbonates by a MOF catalyst†","authors":"Ha Phan , Pol de la Cruz-Sánchez , María Jesús Cabrera-Afonso , Belén Martín-Matute","doi":"10.1039/d4gc06360k","DOIUrl":"10.1039/d4gc06360k","url":null,"abstract":"<div><div>In this study, we present the preparation and application of a new manganoporphyrin Hf-MOF catalyst, Hf-PCN-222(Mn) for the direct oxidative carboxylation of alkenes with CO<sub>2</sub>, leading to the effective formation of cyclic organic carbonates (COCs). In contrast to the conventional two-step process, this one-step methodology eliminates the need for the preparation, purification, and handling of epoxides. Hf-PCN-222(Mn) operates under very mild conditions, enabling the synthesis of a wide variety of COCs from alkenes (23 examples, up to 75% yield), as well as the chemoselective and size-selective carboxylation of dienes (7 examples, up to 61% yield). Additionally, we observed that Hf-PCN-222(Mn) could be recycled multiple times without significant loss of activity, providing insight into the sustainability of this approach.</div></div>","PeriodicalId":78,"journal":{"name":"Green Chemistry","volume":"27 9","pages":"Pages 2439-2448"},"PeriodicalIF":9.3,"publicationDate":"2025-01-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/gc/d4gc06360k?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143474984","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Shanshan E , Bo Niu , Jia Liu , Yilin Yuan , Jiefeng Xiao , Zhenming Xu
{"title":"Intelligent metal recovery from spent Li-ion batteries: machine learning breaks the barriers of traditional optimizations†","authors":"Shanshan E , Bo Niu , Jia Liu , Yilin Yuan , Jiefeng Xiao , Zhenming Xu","doi":"10.1039/d4gc05967k","DOIUrl":"10.1039/d4gc05967k","url":null,"abstract":"<div><div>As the retirement of new energy vehicles peaks, efficient recycling of spent lithium-ion batteries (LIBs) is significant for environmental sustainability. Roasting integrated with water leaching is a popular process for metal recovery from spent LIBs. However, traditional optimization experiments face the challenges of lengthy and costly procedures due to the variability of waste materials and the intricate interplay between process variables. This study breaks through the barriers by introducing machine learning (ML) to establish a smart prediction model for efficient metal recovery from LIBs. Based on the 8921 data collected, the model incorporates 18 input features, encompassing waste particle size, components, and roasting–water leaching parameters, and predicts Li, Co, Mn, and Ni recovery efficiencies. Four ML algorithms are compared to determine the best prediction models with <em>R</em><sup>2</sup> values of 0.81–0.98 in the training and test datasets. The intricate interaction mechanisms of each feature with metal recovery were revealed, providing a deeper understanding of the recovery process. Furthermore, we developed a user-friendly GUI that instantly suggests optimal parameters for maximizing the metal recovery efficiency, simply by inputting waste particle sizes and components. Finally, the reliability and practicability of the GUI are verified by experiments. This work dispenses with the traditional and extensive optimization experiments and decreases the recovery costs, which achieves efficient and intelligent spent LIB recycling.</div></div>","PeriodicalId":78,"journal":{"name":"Green Chemistry","volume":"27 9","pages":"Pages 2478-2492"},"PeriodicalIF":9.3,"publicationDate":"2025-01-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143475013","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}
Lu Zhan , Yanru Liu , Guizhong Zhou , Kang Liu , Yunmei Du , Lei Wang
{"title":"Tensile-strain-driven interstitial Ru doping structure on an FeCoP/FF electrode accelerates the reaction kinetics of water electrolysis†","authors":"Lu Zhan , Yanru Liu , Guizhong Zhou , Kang Liu , Yunmei Du , Lei Wang","doi":"10.1039/d4gc06286h","DOIUrl":"10.1039/d4gc06286h","url":null,"abstract":"<div><div>Ru atoms with a large radius are often doped into a lattice as substituents due to reaction kinetics and thermodynamics limitations. Therefore, overcoming kinetic resistance to realize interstitial Ru doping in phosphides and establishing the internal relationship of its electrocatalytic performance are challenging. Considering that the tensile strain induced by a quenching-induced huge temperature difference can provide the possibility of interstitial doping, an interstitially Ru-doped FeCoP/FF electrode with 2.32% tensile strain was innovatively constructed by a strain-driven interstitial Ru doping strategy. As expected, the Ru-FeCoP/FF∥Ru-FeCoP/FF electrolyzer needs a cell voltage of only 1.64 V to deliver 1 A cm<sup>−2</sup>. Notably, the tensile strain and interstitially doped Ru synergistically promote the movement of electrons from Fe and Co sites to P and plummeting of the activation energy (<em>E</em><sub>a</sub>), thus accelerating the reaction kinetics of HER and OER. Overall, this work provides new ideas for designing an Ru interstitially doped electrode and optimizing the HER and OER kinetics.</div></div>","PeriodicalId":78,"journal":{"name":"Green Chemistry","volume":"27 9","pages":"Pages 2417-2426"},"PeriodicalIF":9.3,"publicationDate":"2025-01-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143474982","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":"Evaluating the possibilities and limitations of the pyrometallurgical recycling of waste Li-ion batteries using simulation and life cycle assessment†","authors":"Marja Rinne , Heikki Lappalainen , Mari Lundström","doi":"10.1039/d4gc05409a","DOIUrl":"10.1039/d4gc05409a","url":null,"abstract":"<div><div>Pyrometallurgical recycling of Li-ion batteries has been deemed energy-intensive and thought to result in poor recoveries, and it is typically considered disadvantageous in environmental terms in comparison to hydrometallurgical and direct recycling in the state-of-the-art literature. The process pathways for Li-ion batteries are constantly evolving, however, and such assumptions warrant re-evaluation when new technologies emerge, such as for the recovery of lithium by volatilization. The potential benefits and limitations of pyrometallurgical Li-ion battery recycling were evaluated with process simulation and life cycle assessment with and without pre-treatment stage for dismantled end-of-life batteries to demonstrate how the current processes should be developed to reach the EU's battery regulation goals. The analysis showed that the recovery of lithium by novel volatilization method followed by leaching-carbonation is environmentally viable, and that the pyrometallurgical recycling of nickel and cobalt-bearing NMC111 and NMC811 batteries results in significant impact reductions <em>vs.</em> primary raw materials especially when pre-treatment is conducted. The processing of NMC cells or black mass does not necessarily require external reducing agents or fuels due to the presence of graphite on the anode. The recycling of lithium iron phosphate (LFP) batteries, however, is more challenging. The results show that the pyrometallurgical processing of NMC batteries can satisfy both EU Battery Regulation targets assuming that the slagging of cobalt and nickel can be optimized.</div></div>","PeriodicalId":78,"journal":{"name":"Green Chemistry","volume":"27 9","pages":"Pages 2522-2537"},"PeriodicalIF":9.3,"publicationDate":"2025-01-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/gc/d4gc05409a?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143475067","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Yue Zhang , Wei Sun , Rui-shuang Zhang , Yan Feng , Bin Dai , Jichang Liu
{"title":"Electrochemical hydrogenation of nitrogen to ammonia under ambient conditions in a suspended dual-catalyst system†","authors":"Yue Zhang , Wei Sun , Rui-shuang Zhang , Yan Feng , Bin Dai , Jichang Liu","doi":"10.1039/d4gc05276e","DOIUrl":"10.1039/d4gc05276e","url":null,"abstract":"<div><div>Electrocatalytic hydrogenation provides a sustainable method and green route to convert atmospheric nitrogen N<sub>2</sub> into ammonia NH<sub>3</sub> under mild conditions but is still challenged with the issues of low working current density and low faradaic efficiency. Herein, a suspended electrocatalytic dual-catalyst system was designed to realize the nitrogen hydrogenation into ammonia with high faradaic efficiency and high working current density, which is often thought to be rather difficult in aqueous electrolysis. The electrochemical system uses a soluble polyoxometalate of silicotungstic acid as an electron captor and a suspended noble-metal catalyst Ru/TiO<sub>2</sub> as the nitrogen fixation catalyst, so that the catalyst particles can be detached from the electrode, which is quite different from common electrochemical systems. Because the nitrogen fixation catalyst is free from the electrode, no current flows through the catalyst and even a non-conductive catalyst can be used, so that the suspended electrochemical system can provide a rather large opportunity and maneuverability for enhancing the nitrogen fixation process.</div></div>","PeriodicalId":78,"journal":{"name":"Green Chemistry","volume":"27 9","pages":"Pages 2404-2416"},"PeriodicalIF":9.3,"publicationDate":"2025-01-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143474981","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}
Yu Zhu , Xueli Lv , Jun Hong , Shengxing Wu , Zhi Li , Minyan Wang , Xinpeng Jiang
{"title":"Amine-promoted three-component cycloaddition of bicyclo[1.1.0]butanes with hydroxylamine and polyformaldehyde: expedient access to 2-oxa-3-azabicyclo[3.1.1]heptanes†","authors":"Yu Zhu , Xueli Lv , Jun Hong , Shengxing Wu , Zhi Li , Minyan Wang , Xinpeng Jiang","doi":"10.1039/d4gc05355a","DOIUrl":"10.1039/d4gc05355a","url":null,"abstract":"<div><div>Bicyclo[3.1.1]heptanes are generally considered important bioisosteres for <em>meta</em>-substituted arenes. Herein, we have developed an amine-promoted synthesis of C4-unsubstituted 2-oxa-3-azabicyclo[3.1.1]heptanes <em>via</em> a formal dipolar [4π + 2σ] cycloaddition of bicyclo[1.1.0]butanes (BCBs) with nitrones generated <em>in situ</em> from hydroxylamines and polyformaldehyde. This synthesis featured mild reaction conditions with excellent functional group tolerance. Notably, mono-substituted and disubstituted BCBs exhibited different regioselectivities during cycloaddition reactions. Computational density functional theory (DFT) calculations provided insights into the mechanistic aspects of this selective cycloaddition, further highlighting the potential of this synthetic approach.</div></div>","PeriodicalId":78,"journal":{"name":"Green Chemistry","volume":"27 9","pages":"Pages 2464-2470"},"PeriodicalIF":9.3,"publicationDate":"2025-01-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143475011","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}
Xiaolu Yin, Shuping Wang, Ronghao Liu, Xiaoxia Liu, Jun Li and Yanzhao Yang
{"title":"Efficient and sustainable recycling of waste gallium arsenide semiconductors based on triiodide ionic liquids†","authors":"Xiaolu Yin, Shuping Wang, Ronghao Liu, Xiaoxia Liu, Jun Li and Yanzhao Yang","doi":"10.1039/D5GC00067J","DOIUrl":"https://doi.org/10.1039/D5GC00067J","url":null,"abstract":"<p >Gallium arsenide (GaAs) semiconductors, holding immense value, can cause environmental pollution and resource waste if stacked up or landfilled at will. Nevertheless, current research on GaAs recycling faces challenges of elevated energy demands and environmental repercussions. Consequently, we developed an efficient and sustainable GaAs recycling technology with promising potential. By utilizing synthesized triiodide ionic liquids, we selectively leached As and Ga from discarded GaAs without relying on strong acids, alkalis, or hazardous cyanide, and there was no generation of harmful byproducts, thereby reducing environmental impact. This method achieves exceptional recovery efficiency (As: 94.1%, Ga: 97.1%), high purity (As: 99.9%, Ga: 99.7%), and remarkable reusability (over 6 cycles). Our findings revealed that the successful leaching of As and Ga was attributed to powerful redox and complexation mechanisms. In-depth exploration of leaching kinetics indicated that the reaction occurred at an intermediate layer and unreacted core, following a mixed control model. Notably, this method is ideal for real-world application given the low-energy (80 °C), low-viscosity (below 35 cP) and one-step leaching and recovery. Importantly, life cycle assessments indicate that this recycling method substantially mitigates various environmental pressures and an economic analysis showed that recovering 1.0 kg of waste GaAs could yield a significant profit of 3.36 × 10<small><sup>4</sup></small> USD. Overall, this innovative strategy represents a noteworthy advancement in green recycling technology.</p>","PeriodicalId":78,"journal":{"name":"Green Chemistry","volume":" 11","pages":" 3077-3090"},"PeriodicalIF":9.3,"publicationDate":"2025-01-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143580958","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}
Armin Rezayan , Dan Wu , Zhen Zhang , Xiaomeng Yang , Renfeng Nie , Tianliang Lu , Jianshe Wang , Xiaoqin Si , Yongsheng Zhang , Chunbao Xu
{"title":"Efficient and switchable production of bio-diol/triol chemicals from 5-hydroxymethylfurfural†","authors":"Armin Rezayan , Dan Wu , Zhen Zhang , Xiaomeng Yang , Renfeng Nie , Tianliang Lu , Jianshe Wang , Xiaoqin Si , Yongsheng Zhang , Chunbao Xu","doi":"10.1039/d4gc05875e","DOIUrl":"10.1039/d4gc05875e","url":null,"abstract":"<div><div>5-Hydroxymethylfurfural (HMF), regarded as one of the top bio-based platform chemicals, possesses a molecular structure with CO, C–OH, and a furan ring, allowing for its conversion into a variety of high value-added green chemicals through a range of catalytic reactions. This study focuses on the highly promising yet challenging conversion of HMF into furanic and non-furanic chemicals with tunable selectivity <em>via</em> hydrogenation/hydrogenolysis over cobalt–copper–aluminum layered double oxide (Co<sub><em>x</em></sub>CuAl LDO) catalysts. The synthesized Co<sub><em>x</em></sub>CuAl catalysts were meticulously characterized and then utilized for the efficient transformation of HMF into 2,5-bis(hydroxymethyl)furan (BHMF) and 1,2,6-hexanetriol (1,2,6-HTO). The CoAl, CuAl, and physically mixed CoAl + CuAl catalysts predominantly favored BHMF production <em>via</em> hydrogenation of HMF's carbonyl group. However, the optimal Co<sub>5</sub>CuAl catalyst achieved efficient and switchable production of BHMF (∼91% yield) or 1,2,6-HTO (∼72% yield) under tunable reaction conditions, owing to the synergistic effects of CoCu in modifying electronic–geometric properties, where the electron-enriched Co facilitated ring-opening hydrogenolysis. Indeed, the formed CoCu interface/alloy is capable of both hydrogenation and ring-opening hydrogenolysis, enabling adjustable product formation; however, the absence of this active site in monometallic catalysts hinders ring-opening hydrogenolysis, resulting in the production of a non-switchable product, BHMF. Density functional theory (DFT) calculations and experimental studies disclosed that the bimetallic catalyst outperformed its monometallic counterpart in terms of HMF and H adsorption, which can be attributed to the formation of the CoCu alloy, inducing a modified d-band center. The findings and future development of this work would lead to sustainable production of high value-added bio-diols/triols from bioresources.</div></div>","PeriodicalId":78,"journal":{"name":"Green Chemistry","volume":"27 9","pages":"Pages 2578-2591"},"PeriodicalIF":9.3,"publicationDate":"2025-01-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/gc/d4gc05875e?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143475071","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}