Alexander D. Kalian , Jaewook Lee , Stefan P. Johannesson , Lennart Otte , Christer Hogstrand , Miao Guo
{"title":"From LLMs to sustainable proteins: fine-tuning and prompt engineering for multi-agent AI in waste carbon-utilising microbial protein production","authors":"Alexander D. Kalian , Jaewook Lee , Stefan P. Johannesson , Lennart Otte , Christer Hogstrand , Miao Guo","doi":"10.1016/j.ccst.2025.100525","DOIUrl":"10.1016/j.ccst.2025.100525","url":null,"abstract":"<div><div>The global demand for sustainable protein sources has accelerated the need for intelligent tools that can rapidly process and synthesise domain-specific scientific knowledge. In this study, we present a multi-agent Artificial Intelligence (AI) framework designed to support sustainable protein production research, with an initial focus on microbial protein fermentation using side-streams which enables waste carbon capture and utilisation (CCU). Our Retrieval-Augmented Generation (RAG)-oriented system consists of two GPT-based LLM agents: (1) a literature search agent that retrieves relevant scientific literature on microbial protein production for a specified microbial strain, and (2) an information extraction agent that processes the retrieved content to extract relevant biological and chemical information. Two parallel methodologies, fine-tuning and prompt engineering, were explored for agent optimisation. Both methods demonstrated effectiveness at improving the performance of the information extraction agent in terms of transformer-based cosine similarity scores between obtained and ideal outputs. Mean cosine similarity scores were increased by up to 25 %, while universally reaching mean scores of ≥0.89 against ideal output text. Fine-tuning overall improved the mean scores to a greater extent (consistently of ≥0.94) compared to prompt engineering, although lower statistical uncertainties were observed with the latter approach. A user interface was developed and published for enabling the use of the multi-agent AI system, alongside preliminary exploration of additional chemical safety-based search capabilities relevant to CCU-integrated sustainable protein production.</div></div>","PeriodicalId":9387,"journal":{"name":"Carbon Capture Science & Technology","volume":"17 ","pages":"Article 100525"},"PeriodicalIF":0.0,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145262794","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Yaozu Wang , Yuqi Niu , Yunrong Zhao , Bocheng Yu , Jinyang Xu , Yongqing Xu , Shijie Yu , Xuan Bie , Qinghai Li , Yanguo Zhang , Jingyuan Ma , Shuzhuang Sun , Fei Song , Hui Zhou
{"title":"Optimization and deactivation mechanisms of molten salt-promoted MgO for intermediate-temperature CO2 capture","authors":"Yaozu Wang , Yuqi Niu , Yunrong Zhao , Bocheng Yu , Jinyang Xu , Yongqing Xu , Shijie Yu , Xuan Bie , Qinghai Li , Yanguo Zhang , Jingyuan Ma , Shuzhuang Sun , Fei Song , Hui Zhou","doi":"10.1016/j.ccst.2025.100492","DOIUrl":"10.1016/j.ccst.2025.100492","url":null,"abstract":"<div><div>The incorporation of nitrate molten salts has been demonstrated as an effective strategy to enhance the CO<sub>2</sub> uptake of MgO for intermediate-temperature (200–400 °C) CO<sub>2</sub> capture. However, the slow carbonation kinetics in flue gas capture, coupled with poor stability, hinder its industrial application. In this study, the addition of Na<sub>2</sub>CO<sub>3</sub> was found to significantly improve the sorption kinetics of MgO in a 15 % CO<sub>2</sub> atmosphere, achieving a CO<sub>2</sub> capacity of 19.9 mmol/g at 275 °C with a 15 mol% total promoter loading (Na<sub>2</sub>CO<sub>3</sub>/NaNO<sub>3</sub> = 1:4). Mechanistic analysis revealed that Na<sub>2</sub>CO<sub>3</sub> promotes the formation of Na<sub>2</sub>Mg(CO<sub>3</sub>)<sub>2</sub>, which acts as an effective nucleation site for MgCO<sub>3</sub> formation, accelerating the carbonation rate by a factor of eight. The Hard X-ray photoelectron spectroscopy (HAXPES) revealed that an increased Na/Mg ratio caused subsurface migration and aggregation of molten salts, leading to a permanent rise in local salt concentrations, which negatively affected CO<sub>2</sub> capture performance. These findings offer valuable insights into the structural degradation mechanisms and provide guidance for enhancing the stability of nitrate-enhanced MgO, thereby improving its potential for intermediate-temperature CO<sub>2</sub> capture.</div></div>","PeriodicalId":9387,"journal":{"name":"Carbon Capture Science & Technology","volume":"17 ","pages":"Article 100492"},"PeriodicalIF":0.0,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145027387","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Hyeonji Yeom, Yongseok Kim, Woosung Leem, Jongmin Park, Kyungsu Na
{"title":"Mechanistic elucidation of cascade CO2 hydrogenation enabled by Cu–Fe interfaces and oxygen vacancies","authors":"Hyeonji Yeom, Yongseok Kim, Woosung Leem, Jongmin Park, Kyungsu Na","doi":"10.1016/j.ccst.2025.100500","DOIUrl":"10.1016/j.ccst.2025.100500","url":null,"abstract":"<div><div>The direct hydrogenation of CO<sub>2</sub> using green hydrogen offers a sustainable route to produce carbon-neutral liquid hydrocarbons, emerging as a viable alternative to conventional naphtha cracking. Although Fe-based CuAl<sub>2</sub>O<sub>4</sub> catalysts have been widely studied for CO<sub>2</sub> hydrogenation, the mechanistic role of hydrogen spillover across dynamic Cu–Fe and associated oxygen vacancies has remained elusive. Here, the structure of FeK/CuAl<sub>2</sub>O<sub>4</sub> catalysts was systematically tailored by controlling the reduction temperature to elucidate the exsolution-driven restructuration of pristine catalyst structure and its influences on the catalytic performance. We investigated the reaction process using in-situ DRIFTS analysis, from which we for the first time observed a cascade mechanism activated by hydrogen spillover, revealing various elementary reaction steps: (i) preferential adsorption of CO<sub>2</sub> as carbonate species on oxygen vacancies created by Cu exsolution in CuAl<sub>2</sub>O<sub>4</sub> lattice, (ii) effective formate-mediated reverse water–gas shift (RWGS) reaction via the hydrogen spillover from exsolved Cu, (iii) promoted Fischer–Tropsch synthesis (FTS) reaction on Fe<sub>5</sub>C<sub>2</sub> formed by the facilitated Fe carburization at the exsolved Cu–Fe<sub>3</sub>O<sub>4</sub> interfaces, (iv) rapid desorption of hydrocarbons produced via controlled carbon chain growth. This cooperative interaction enabled the selective production of C<sub>5–11</sub> hydrocarbons, achieving the highest C<sub>5–11</sub> productivity of 290.7 mL g<sub>cat</sub><sup>–1</sup> h<sup>–1</sup>, surpassing our previous work at a CO<sub>2</sub> conversion of 36.4%. These findings establish a quantitative structure–performance–mechanism relationship and offer design principles for selectivity control toward desired hydrocarbon ranges in multifunctional CO<sub>2</sub> hydrogenation catalysts.</div></div>","PeriodicalId":9387,"journal":{"name":"Carbon Capture Science & Technology","volume":"17 ","pages":"Article 100500"},"PeriodicalIF":0.0,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144933166","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Robert Kiefel , Jonas Görtz , Jan Haß , Julius Walorski , Falk Zimmer , Andreas Jupke
{"title":"Feasibility assessment of a spray tower for gas-liquid reactive precipitation in CO2 capture","authors":"Robert Kiefel , Jonas Görtz , Jan Haß , Julius Walorski , Falk Zimmer , Andreas Jupke","doi":"10.1016/j.ccst.2025.100509","DOIUrl":"10.1016/j.ccst.2025.100509","url":null,"abstract":"<div><div>The industrial deployment of <span><math><msub><mrow><mrow><mi>C</mi></mrow><mi>O</mi></mrow><mn>2</mn></msub></math></span> capture technologies for purifying gases with low <span><math><msub><mrow><mrow><mi>C</mi></mrow><mi>O</mi></mrow><mn>2</mn></msub></math></span> partial pressure (e.g., flue gas) has been limited due to substantial economic hurdles. Process intensification offers a pathway to enhance the cost efficiency of <span><math><msub><mrow><mrow><mi>C</mi></mrow><mi>O</mi></mrow><mn>2</mn></msub></math></span> sequestration. One approach that has garnered significant attention is the process integration of phase-change absorbents. Among these, bis(iminoguanidines) have shown considerable promise in recent literature. Particularly, glyoxal-bis(iminoguanidine) (GBIG) has demonstrated the ability to precipitate <span><math><msubsup><mrow><mi>HCO</mi></mrow><mrow><mn>3</mn></mrow><mo>−</mo></msubsup></math></span> with low regeneration energy demand. However, GBIG and comparable phase-change absorbents require the integration of alkaline scrubbing with reactive precipitation in a single unit operation (gas-liquid reactive precipitation), introducing operational challenges such as scaling and clogging in conventionally applied packed-bed columns. To mitigate these issues, this study investigates the use of a spray tower as a gas-liquid reactive precipitator for <span><math><msub><mrow><mrow><mi>C</mi></mrow><mi>O</mi></mrow><mn>2</mn></msub></math></span> capture from a flue gas surrogate. A pilot-scale spray tower is designed, constructed, and operated. Contrary to expectations, Rayleigh breakup of liquid jets induces a bimodal droplet size distribution in the lower sections of the tower, indicating limited scalability and highlighting the need for liquid recycling. For comparative purposes, the investigation includes a <span><math><msubsup><mrow><mrow><mi>C</mi></mrow><mi>O</mi></mrow><mrow><mn>3</mn></mrow><mrow><mn>2</mn><mo>−</mo></mrow></msubsup></math></span>-precipitating system (<span><math><msub><mrow><mi>Ba</mi><mo>(</mo><mtext>OH</mtext><mo>)</mo></mrow><mn>2</mn></msub></math></span>) and a non-precipitating system (<span><math><mrow><mi>NaOH</mi></mrow></math></span>), alongside GBIG. All systems demonstrate stable operability in single-pass and batch modes. During liquid recycling, small amounts of solids are entrained to the tower top. Nevertheless, no evidence of scaling or clogging is detected at the orifice plate, suggesting that the precipitated solids are significantly smaller than the orifice diameter. In the final performance comparison, the <span><math><mrow><mi>GBIG</mi></mrow></math></span> system demonstrates superior <span><math><msub><mrow><mrow><mi>C</mi></mrow><mi>O</mi></mrow><mn>2</mn></msub></math></span> capture efficiency relative to the <span><math><msub><mrow><mi>Ba</mi><mo>(</mo><mtext>OH</mtext><mo>)</mo></mrow><mn>2</mn></msub></math></span> system. However, achieving this efficiency com","PeriodicalId":9387,"journal":{"name":"Carbon Capture Science & Technology","volume":"17 ","pages":"Article 100509"},"PeriodicalIF":0.0,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145096340","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Baljeet Singh, Zahra Eshaghi Gorji, Luc Charbonneau, Timo Repo
{"title":"Harnessing humidity for direct air capture: Moisture-swing sorbent design and mechanisms","authors":"Baljeet Singh, Zahra Eshaghi Gorji, Luc Charbonneau, Timo Repo","doi":"10.1016/j.ccst.2025.100497","DOIUrl":"10.1016/j.ccst.2025.100497","url":null,"abstract":"<div><div>Direct Air Capture (DAC) and Post-Combustion CO<sub>2</sub> capture (PCC) using liquid and solid amine sorbents, received enormous attention due to worsening weather and climate change. Enhancing the efficiency of CO<sub>2</sub> capture and removal technologies is crucial, with a primary focus on reducing the energy demand for continuous capture-release cycles. Low-energy CO<sub>2</sub> removal strategies offer promising durability and low operational costs, and a low levelized cost per ton of CO<sub>2</sub> removal is preferred for large-scale implementation. This review highlights low-energy CO<sub>2</sub> removal approaches, such as moisture/humidity swing sorbents. This discussion covers the influence of structural and molecular characteristics, the effect of counter anions on CO<sub>2</sub> removal efficiency and kinetics, the impact of different operational factors on performance, and the long-term stability of these materials. Continuous exploration and optimization of these materials and methods are vital for advancing the moisture swing method, contributing to global efforts to combat climate change and promoting environmental sustainability. Finally, recommendations are provided for the design of innovative materials.</div></div>","PeriodicalId":9387,"journal":{"name":"Carbon Capture Science & Technology","volume":"17 ","pages":"Article 100497"},"PeriodicalIF":0.0,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145096441","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Next-Generation Cu-MOF-based electrocatalysts for CO2 reduction: Bridging mechanistic insights and rational design","authors":"Hafiz Muhammad Waqar Abid , Mannix P. Balanay","doi":"10.1016/j.ccst.2025.100521","DOIUrl":"10.1016/j.ccst.2025.100521","url":null,"abstract":"<div><div>The electrochemical reduction of carbon dioxide (CO<sub>2</sub>RR) represents a promising pathway toward sustainable and carbon-neutral production of fuels and chemicals. Among various electrocatalysts, copper-based metal–organic frameworks (Cu-MOFs) have emerged as a highly versatile class of materials. This review provides a comprehensive overview of Cu-MOF-based electrocatalysts, with a particular focus on controlling rate and product selectivity toward C<sub>1</sub> (CO, HCOOH, CH<sub>4</sub>, CH<sub>3</sub>OH) and C<sub>2</sub> (C<sub>2</sub>H<sub>4</sub>, C<sub>2</sub>H<sub>5</sub>OH) compounds. We critically examine how operando/DFT informed factors such as metal-ligand coordination, framework topology, and electronic structure influence key mechanistic steps of CO<sub>2</sub>RR. Persistent challenges such as low intrinsic electrical conductivity, structural instability, and insufficient selectivity toward multicarbon products are thoroughly examined. This review is distinctive in connecting fundamental mechanistic pathways of CO<sub>2</sub>RR with material design, highlighting how π-conjugated linkers, heteroatom doping, in situ reconstruction and derivatives, as well as hydrophobic surface engineering can be harnessed to optimize activity, selectivity and stability. Particular attention is given to operando and in situ characterization techniques. Finally, we propose a future roadmap that integrates band structure engineering, development of bimetallic and multi-functional active sites, and implementation of standardized testing protocols. By bridging mechanistic understanding with rational material design, this review aims to accelerate the development of high-performance, durable, and scalable Cu-MOF-based electrocatalysts for efficient CO₂ reduction.</div></div>","PeriodicalId":9387,"journal":{"name":"Carbon Capture Science & Technology","volume":"17 ","pages":"Article 100521"},"PeriodicalIF":0.0,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145155274","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Jinhong Jeong , Mujin Cheon , Banseok Oh , Aqil Jamal , Jay H. Lee , Dong-Yeun Koh
{"title":"Accelerating process design for direct air capture: Bayesian optimization of temperature-vacuum swing adsorption with fiber sorbents","authors":"Jinhong Jeong , Mujin Cheon , Banseok Oh , Aqil Jamal , Jay H. Lee , Dong-Yeun Koh","doi":"10.1016/j.ccst.2025.100526","DOIUrl":"10.1016/j.ccst.2025.100526","url":null,"abstract":"<div><div>Solid sorbent-based direct air capture (DAC) is a key carbon dioxide removal strategy, yet its process optimization remains challenging due to the need to simultaneously address multiple, high-dimensional objectives. These include maximizing CO<sub>2</sub> capture capacity, minimizing operating costs, and reducing overall carbon emissions across the system's life cycle. In this study, we experimentally present a refined approach for optimizing a dual-bed temperature and vacuum swing adsorption (TVSA) cycle using a fiber sorbent based on the metal-organic framework NbOFFIVE-1-Ni, aiming to understand and reconcile the competing performance objectives. To achieve this, a structured exploration of the critical operational variables was conducted, encompassing adsorption flow rate, adsorption time, desorption temperature, and desorption time. Recognizing the complexity and interrelated nature of the performance metrics, we adopted Bayesian Optimization, a powerful data-driven method, to iteratively identify operating conditions that maximize CO<sub>2</sub> capture efficiency while minimizing operational expenditure (OPEX). Extensive cycle-level testing and performance assessment produced a DAC performance profile characterized by distinct Pareto fronts, which delineate the inherent trade-offs between energy consumption and capture efficiency. These insights enabled the determination of optimal operating conditions. Notably, the lab-scale dual bed system achieved a capture capacity of 21.76 mol CO<sub>2</sub> per year (0.52 g-CO<sub>2</sub>/g-sorbent per day), supporting its feasibility for large-scale, cost-effective, and environmentally responsible DAC deployment.</div></div>","PeriodicalId":9387,"journal":{"name":"Carbon Capture Science & Technology","volume":"17 ","pages":"Article 100526"},"PeriodicalIF":0.0,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145262793","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Néstor D. Montiel-Bohórquez, Manuele Gatti, Matteo C. Romano
{"title":"Flexible calcium looping for CO2 capture in electric Arc Furnace steelmaking: A techno-economic analysis","authors":"Néstor D. Montiel-Bohórquez, Manuele Gatti, Matteo C. Romano","doi":"10.1016/j.ccst.2025.100504","DOIUrl":"10.1016/j.ccst.2025.100504","url":null,"abstract":"<div><div>This study presents a techno-economic analysis of four configurations of the Calcium Looping (CaL) technology, tailored to enhance system flexibility for capturing CO<sub>2</sub> from the fluctuating flue gases generated by a scrap-based Electric Arc Furnace with a capacity of 112 t<sub>steel</sub>/h. The configurations differ based on the solids circulation strategy between reactors (constant or variable) and the presence of one or two intermediate solids storage vessels. Configurations incorporating intermediate solids storage demonstrated operational advantages, including enhanced process stability and downsized calciner island components. Moreover, the plant configuration with two intermediate solids storages led to the lowest specific fuel consumption of 5.85 MJ per kg<sub>CO2</sub> captured.</div><div>Under the assumptions considered, the CaL system achieved a CO<sub>2</sub> capture rate of 91 % from the EAF off-gas. Moreover, using residual forestry biomass as fuel in the calciner enabled to achieve negative emissions with net CO<sub>2</sub> removal rates of 13-26 t<sub>CO2</sub>/h, corresponding to 100-200 kg<sub>CO2</sub> removed per t<sub>steel</sub> produced.</div><div>From an economic standpoint, increment in steel cost ranged from 26 to 36 €/t<sub>steel</sub> (assuming a carbon tax of 100 €/t<sub>CO2</sub>), with costs of CO<sub>2</sub> avoided of 202-255 €/t<sub>CO2</sub>.</div></div>","PeriodicalId":9387,"journal":{"name":"Carbon Capture Science & Technology","volume":"17 ","pages":"Article 100504"},"PeriodicalIF":0.0,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145096337","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Accelerating CO2 sequestration in cementitious materials using carbonic anhydrase: Experimental insights into performance and mechanisms","authors":"Xiulin Chen, Zhidong Zhang, Ueli Angst","doi":"10.1016/j.ccst.2025.100511","DOIUrl":"10.1016/j.ccst.2025.100511","url":null,"abstract":"<div><div>Increasing atmospheric CO<sub>2</sub> levels require innovative mitigation strategies. Cementitious materials offer significant potential for CO<sub>2</sub> sequestration through carbonation. This study investigates the application of carbonic anhydrase (CA), an enzyme that catalyzes CO<sub>2</sub> hydration, to accelerate CO<sub>2</sub> sequestration in cementitious materials. We applied pH monitoring and p-NPA assay to evaluate CA activity under artificial cementitious environments. The results showed that CA activity significantly decreased at pH 13 but remained stable at pH below 12, suggesting potential applications of CA in lower-pH systems, such as demolished concrete, mineral waste, or cementitious materials with a low clinker content. Mixing CA directly into fresh cement pastes showed more carbonates formed and a higher reduction in pore volume than the control groups, demonstrating that CA accelerated early-stage CO<sub>2</sub> sequestration. When spraying the CA solution on crushed cement paste, we observed a dense layer of calcite on the surfaces of cement paste particles, meaning that early-stage carbonation resulted in a higher carbonate content than the control samples, particularly for smaller particles with larger surface areas. However, the carbonation efficiency decreased at the later stage, which is likely due to CA deactivation or surface densification limiting ions diffusion, reducing further carbonation enhancement at later stages. This study highlights the potential of CA to accelerate CO<sub>2</sub> sequestration in cementitious materials while emphasizing the challenges of high pH and complex ionic composition for CA performance. The findings suggest the need for stabilizing the enzyme’s activity or applying CA to low-clinker cementitious materials, and partially carbonated materials, such as recycled concrete aggregates, for CO<sub>2</sub> sequestration.</div></div>","PeriodicalId":9387,"journal":{"name":"Carbon Capture Science & Technology","volume":"17 ","pages":"Article 100511"},"PeriodicalIF":0.0,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145027389","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Naveed Akhtar , Habib Ullah , Amir Zada , Shohreh Azizi , Muhammad Ateeq , Javed Ali Khan , Muhammad Ishaq Ali Shah , Mohammad Naeem , Muhammad Shakeel Khan , Zakir Ullah , Hyun You Kim
{"title":"CO2 reduction reimagined: From light-driven to electrocatalytic pathways with computational insight towards enhanced product selectivity","authors":"Naveed Akhtar , Habib Ullah , Amir Zada , Shohreh Azizi , Muhammad Ateeq , Javed Ali Khan , Muhammad Ishaq Ali Shah , Mohammad Naeem , Muhammad Shakeel Khan , Zakir Ullah , Hyun You Kim","doi":"10.1016/j.ccst.2025.100536","DOIUrl":"10.1016/j.ccst.2025.100536","url":null,"abstract":"<div><div>Transforming carbon dioxide (CO<sub>2</sub>) into valuable fuels and chemicals through photocatalysis and electrocatalysis presents a sustainable approach to reducing carbon emissions and tackling global energy challenges. However, the major hurdles lie in the low activity and selectivity of these processes. This review critically analyzes the fundamental mechanisms and reaction pathways for CO<sub>2</sub> reduction, with a focus on photocatalytic and electrocatalytic approaches. Key factors influencing product selectivities, including the band structure of photocatalysts, light-excitation properties, charge carrier separation, and surface interactions, are thoroughly examined. We also emphasize recent advancements such as bandgap engineering, doping, nanostructure tailoring, and the use of innovative catalysts to enhance selectivity and efficiency. Unlike previous reviews that focus on either photocatalysis or electrocatalysis in isolation, this review offers a unified perspective on both system, whether highlighting comparative trends, mechanistic insights, and future research directions. This integrated and comprehensive analysis fills a critical gap in the current literature and expected to guide the development of next-generation catalytic systems for efficient and selective CO<sub>2</sub> conversion.</div></div>","PeriodicalId":9387,"journal":{"name":"Carbon Capture Science & Technology","volume":"17 ","pages":"Article 100536"},"PeriodicalIF":0.0,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145516638","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}