Materials Science for Energy Technologies最新文献

{"title":"A review on green synthesis of TiO2 nanoparticles: enhancing DSSC performance and exploring future opportunities","authors":"Muhammad ,&nbsp;Nofrijon Sofyan ,&nbsp;Akhmad Herman Yuwono ,&nbsp;Donanta Dhaneswara","doi":"10.1016/j.mset.2025.07.001","DOIUrl":"10.1016/j.mset.2025.07.001","url":null,"abstract":"<div><div>Global energy security has been destabilized by post-pandemic disruptions, geopolitical instability, and climate-related events, accelerating the need for sustainable alternatives such as solar technologies. Dye-sensitized solar cells (DSSCs), a cost-effective and environmentally friendly third-generation photovoltaic technology, have attracted significant research interest in recent decades, particularly in enhancing the properties of the photoanode material. This review emphasizes the role of green synthesis approaches as promising alternatives to conventional chemical methods. These eco-friendly strategies utilize biological compounds as reducing and capping agents, enabling better control over particle size and morphology, improving DSSC performance by enhancing electron transport properties and dye-loading capacity. However, product consistency and reproducibility issues remain significant challenges, particularly for scaling up and commercialization. This paper also outlines future directions, including extract fingerprinting, hybrid nanostructure development, and integrating artificial intelligence and machine learning for synthesis optimization. The green synthesis of TiO₂ nanoparticles holds strong potential for advancing DSSC performance while supporting the transition toward sustainable energy technologies.</div></div>","PeriodicalId":18283,"journal":{"name":"Materials Science for Energy Technologies","volume":"8 ","pages":"Pages 188-199"},"PeriodicalIF":0.0,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144685850","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":"Development of CdS/TNTA nanocomposite to improve performance of simultaneous electrocoagulation-photocatalysis process for hydrogen production and ciprofloxacin elimination","authors":"Reno Pratiwi ,&nbsp;Muhammad Ibadurrohman ,&nbsp;Eniya Listiani Dewi ,&nbsp;Ratnawati ,&nbsp;Rike Yudianti ,&nbsp;Saddam Husein ,&nbsp;Slamet","doi":"10.1016/j.mset.2025.01.001","DOIUrl":"10.1016/j.mset.2025.01.001","url":null,"abstract":"<div><div>This study aimed to enhance the effectiveness of the simultaneous combination of electrocoagulation and photocatalysis processes by modifying the configuration of the photocatalyst. A heterojunction mechanism was developed by integrating CdS with a photocatalyst using<!--> <!-->a TiO₂ nanotube array (TNTA) <span><span>[1]</span></span>. This mechanism is designed to enhance photocatalytic efficiency by reducing electron-hole recombination. The successful synthesis of CdS/TNTA nanocomposite was confirmed using various characterization methods, including XRD, HRTEM, FESEM, UV–Vis DRS, PL, transient photocurrent, and XPS. The results showed that CdS/TNTA worked better than TNTA in a single photocatalysis process, achieving improved Ciprofloxacin (CIP) removal (7.9 % to 13.8 %) and hydrogen gas production (0.006 to 0.156 mmol/m²plate). Simultaneously operating electrocoagulation and photocatalysis systems in the respective optimized settings resulted in significant enhancements. Hydrogen gas yield increased by 44 % (from 443 to 636 mmol/m² plate) compared to using only TNTA, while CIP removal improved from 79 % to 83 %. This study demonstrates that the synthesis of CdS/TNTA photocatalysts may be a promising approach to achieving high performance of hydrogen recovery while simultaneously removing CIP from wastewater.</div></div>","PeriodicalId":18283,"journal":{"name":"Materials Science for Energy Technologies","volume":"8 ","pages":"Pages 121-130"},"PeriodicalIF":0.0,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143156393","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Highly porous activated carbon from betel palm shells as the prospective electrode for high-performance supercapacitors","authors":"Panuwat Torrarit ,&nbsp;Sirilux Poompradub ,&nbsp;Mahshid Mohammadifar ,&nbsp;Prasit Pattananuwat ,&nbsp;Theerthagiri Jayaraman ,&nbsp;Yujeong Jeong ,&nbsp;Narong Chanlek ,&nbsp;Myong Yong Choi ,&nbsp;Jitti Kasemchainan","doi":"10.1016/j.mset.2025.03.001","DOIUrl":"10.1016/j.mset.2025.03.001","url":null,"abstract":"<div><div>This research has investigated the viability of valorizing Areca or Betel palm-shells into activated carbon, to be applied as an electrode active material in supercapacitors. The palm-shells are an agricultural waste from betel-nut production, an important economic crop in several regions around the world. The conversion process mainly involves pulverization, ZnCl₂-activation, and carbonization. The effect of carbonization temperatures – 500, 600, 700, and 800 °C, was studied on the properties of the activated carbon. Microstructural characterizations like BET, Raman, and XPS were carried out. All the activated samples are microporous, have a specific surface area &gt;1,000 m² g⁻¹, and possess an intensity ratio of D-to-G band close to 1. More than 80 % of the atomic concentration of the samples is carbon; the C 1s bonds include C=C or sp², C–C or sp³, C–(O,N), C=O, and O–C=O or π– π*. The activated carbon synthesized at 700 °C shows the most favorable properties for being used as the electrode in supercapacitors. Its electrochemical properties, evaluated by galvanostatic charge–discharge and cyclic voltammetry deliver the maximum specific capacitances of 144.48F·g⁻¹ at 1 A·g⁻¹ and 169.21F·g⁻¹ 20 mV·s⁻¹, respectively. The supercapacitors do perform stably at long-term cycling with the capacitance retention (&gt;98 %) and the coulombic efficiency at almost 100 % over 50,000 cycles. The betel-palm-shell carbon has a very comparable capacitive performance to other biomass-derived carbons with the respective maximum energy and powder densities of 7.63 Wh·kg⁻¹ and 5,849.93 W·kg⁻¹. Converting the betel-palm-shell waste, one of the common agricultural wastes in Asia, Oceania, Africa, or Latin America to activated carbon is a pathway of waste valorization as well as leads to a new business opportunity of producing carbon electrodes for an energy application of supercapacitors. This will further go towards a circular carbon economy, not only reducing the carbon footprint and other pollution caused by currently widely practiced incineration, but also creating a sustainable loop of material utilization.</div></div>","PeriodicalId":18283,"journal":{"name":"Materials Science for Energy Technologies","volume":"8 ","pages":"Pages 143-153"},"PeriodicalIF":0.0,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143865027","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":"Superior polyethylene based total heat exchange membranes made from sealing polyamide separating layers with in situ grown ZIF-8 particles","authors":"Mengyao Chen ,&nbsp;Jiajia Gui ,&nbsp;Huimin Wang ,&nbsp;Jiaju Wang ,&nbsp;Fei Huang ,&nbsp;Lixin Xue","doi":"10.1016/j.mset.2025.06.001","DOIUrl":"10.1016/j.mset.2025.06.001","url":null,"abstract":"<div><div>A cross substrate counter diffusion (CSCD) process between the solutions of Zn(II) solution and 2-methyl imidazole (2-MIM)-ammonia solution (pH = 10) to <em>in situ</em> grow ZIF-8 particles was developed to enhance the performance of polyamide (PA)/polyethylene(PE) based thin film composite (TFC) total heat exchange membranes (THEMs). <em>In situ</em> grown ZIF particles from CSCD processes had effectively blocked CO₂ leakages across the PA separating layer by sealing the defect points, and provided selective water vapor permeating channels and surface area to enhance energy recovery efficiencies. The effects of Zn(II) loading concentration, CSCD reaction time and ligand type on the structure, CO₂ barrier property and heat exchange efficiencies were systematically investigated. Under optimized conditions, sealing with ZIF-8 particles could decrease the CO₂ permeance from 7.5 GPU to 1.15 GPU, at the same time, increase the sensible heat, latent heat and heat exchange efficiencies from 80 %, 53 %, 68 % to 96 %, 73 % and 82 % respectively.</div></div>","PeriodicalId":18283,"journal":{"name":"Materials Science for Energy Technologies","volume":"8 ","pages":"Pages 167-177"},"PeriodicalIF":0.0,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144656035","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":"Hybrid thermoelectric generator system for enhanced waste heat recovery from diesel generators using HVAC condenser airflow","authors":"Chadi Nohra ,&nbsp;Rassol Hamed Rasheed ,&nbsp;Ahmed Mohsin Alsayah ,&nbsp;Mohammed J. Alshukri ,&nbsp;Jalal Faraj ,&nbsp;Samer Ali ,&nbsp;Mahmoud Khaled","doi":"10.1016/j.mset.2025.06.002","DOIUrl":"10.1016/j.mset.2025.06.002","url":null,"abstract":"<div><div>Interest in collecting waste heat from diesel generators, a substantial but underutilized energy source, has increased due to the growing demand for energy efficiency. By transforming heat gradients into electrical power, thermoelectric generators (TEGs) offer a clean alternative that improves fuel efficiency and lowers pollutants. In order to improve thermoelectric power generation, this work intends to construct and assess a hybrid system that combines Heating, Ventilating, and Air Conditioning (HVAC) condenser airflow with waste heat from diesel generator exhaust gases. The suggested system presents a new architecture that makes simultaneous use of condenser air and diesel exhaust, two easily accessible but infrequently coupled thermal sources and sinks. Compared to conventional setups, this method greatly increases TEG efficiency by taking advantage of high temperature differentials and passive sink flow. To mimic the behavior of the system under various operating situations, we developed a comprehensive thermal model. The effect of TEG plate dimensions, duct heights, and the TEG thickness-to-thermal-conductivity ratio (t/k) on temperature gradients and power output were investigated parametrically. The findings indicate that while larger cooling loads from the HVAC system result in worse performance, increasing the generator load and t/k ratio increases power output. With duct height = 0.04 m and a 5 m × 0.2 m TEG plate, the optimized arrangement produced a peak output of 4745 W, which translates to a 2.37 % increase in fuel efficiency. This work provides a scalable model for sustainable energy integration in industrial applications and validates the potential of hybrid TEG systems for efficient waste heat recovery.</div></div>","PeriodicalId":18283,"journal":{"name":"Materials Science for Energy Technologies","volume":"8 ","pages":"Pages 178-187"},"PeriodicalIF":0.0,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144656036","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":"Cold sintering process with DMSO as a transient liquid for efficient improvement of thermoelectric properties in silver selenide","authors":"Wanida Duangsimma ,&nbsp;Kiettipong Banlusan ,&nbsp;Supree Pinitsoontorn","doi":"10.1016/j.mset.2025.03.002","DOIUrl":"10.1016/j.mset.2025.03.002","url":null,"abstract":"<div><div>This study investigates the enhancement of thermoelectric properties in silver selenide (Ag₂Se) via the cold sintering process (CSP) using dimethyl sulfoxide (DMSO) as a transient liquid phase. Unlike conventional sintering methods that require high temperatures and long processing times, CSP with DMSO enables densification at significantly lower temperatures while simultaneously tuning the microstructure and carrier transport properties. Bulk Ag₂Se samples were fabricated with varying DMSO concentrations (5–12 %) and sintering temperatures (190 °C, 220 °C, and 250 °C) to evaluate the influence of these parameters on thermoelectric performance. X-ray diffraction (XRD) analysis confirmed the retention of the orthorhombic <em>β</em>-Ag₂Se phase across all samples, with slight morphological changes observed due to DMSO concentration and sintering temperature. Optimal results were achieved at a DMSO concentration of 10 %, where a balance between electrical conductivity (<em>σ</em>) and Seebeck coefficient (<em>S</em>) yielded a high power factor. Thermal conductivity (<em>κ</em>) analysis showed a significant reduction attributed to enhanced phonon scattering from defects introduced via CSP with DMSO. Furthermore, the AS-DMSO250 sample (with 10 % DMSO and sintered at 250 °C) exhibited a stable <em>ZT</em>, ranging from 0.94 at 300 K to 1.10 at 380 K representing a 42–49 % enhancement over the reference sample, which had <em>ZT</em> values of 0.66 at 300 K and 0.74 at 380 K. The average <em>ZT</em> of the optimized sample with DMSO reached approximately 1.02 at 300–380 K, surpassing values commonly reported in the literature. These findings emphasize the critical role of DMSO concentration and sintering temperature in optimizing thermoelectric properties, offering a practical approach for advancing Ag₂Se-based thermoelectric materials for efficient energy harvesting near room temperature.</div></div>","PeriodicalId":18283,"journal":{"name":"Materials Science for Energy Technologies","volume":"8 ","pages":"Pages 154-165"},"PeriodicalIF":0.0,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144106221","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":"Retraction notice to “Computational parametric investigation on single cylinder constant speed spark ignition engine fuelled water-based micro-emulsion, ethanol blends, and conventional gasoline” [Mater. Sci. Energy Technol. 4 (2021) 256–262]","authors":"Ufaith Qadiri","doi":"10.1016/j.mset.2025.05.001","DOIUrl":"10.1016/j.mset.2025.05.001","url":null,"abstract":"","PeriodicalId":18283,"journal":{"name":"Materials Science for Energy Technologies","volume":"8 ","pages":"Page 166"},"PeriodicalIF":0.0,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144518424","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":"Synergetic effects of multiple junction and surface hydroxyl in Cu/CuO/Cu2O/TiO2 heterostructures towards highly efficient photocatalysts for hydrogen generation","authors":"Riki Subagyo ,&nbsp;Garcelina Rizky Anindika ,&nbsp;Afif Akmal Aufkani ,&nbsp;Lei Zhang ,&nbsp;Hosta Ardhyananta ,&nbsp;R.Y. Perry Burhan ,&nbsp;Zjahra Vianita Nugraheni ,&nbsp;Syafsir Akhlus ,&nbsp;Hasliza Bahruji ,&nbsp;Didik Prasetyoko ,&nbsp;Diana Vanda Wellia ,&nbsp;Atthar Luqman Ivansyah ,&nbsp;Arramel ,&nbsp;Yuly Kusumawati","doi":"10.1016/j.mset.2025.02.001","DOIUrl":"10.1016/j.mset.2025.02.001","url":null,"abstract":"<div><div>The implementation of titanium dioxide (TiO₂) as a photocatalyst material in hydrogen (H₂) evolution reaction (HER) has embarked renewed interest in the past decade. Rapid electron-hole pairs recombination and wide band gap of a photo-sensitive material of TiO₂ are detrimental toward the targeted catalytical reaction. In this study, we present the rational design, fabrication, photocatalytic performance of TiO₂-Cu/CuO/Cu₂O heterostructures (CuTi) using viable chemical reduction method. The Z-scheme and S-scheme are succesfully generated across the TiO₂/CuO/Cu₂O interfaces, while the Schottky junction arises on the Cu perimeters. This is evidenced from the blue shifted about 0.3 eV of Cu 2p core level determined by using X-ray photoemission spectroscopy (XPS), in combination with the formation of inverse V-shape of the Mott-Schottky plots. In addition, we find that Cu/CuO/Cu₂O facilitates photon absorption range up to the visible region. The multiple heterojunction and the large number of OH_surface enhanced charge carrier transfer are associated to the suppression of photoluminescence (PL) intensity, high surface hydroxyl (OH_surface) density in CuTi probed by XPS, and fast electron transfer based on the electrochemical measurements. The presence of OH_surface inhibits the recombination of electron. A significant H₂ photogeneration rate enhancement is achieved when an optimized 5 wt% Cu/CuO/Cu₂O concentration is used on TiO₂ to achieve 7,157.19 μmol·g⁻¹ (1,789.30 μmol·g⁻¹·h⁻¹). Based on this finding, zero emission energy innitiative could be materialized under multiple heterojunctions in photocatalytic process is beneficial for enhancing the H₂ production.</div></div>","PeriodicalId":18283,"journal":{"name":"Materials Science for Energy Technologies","volume":"8 ","pages":"Pages 131-142"},"PeriodicalIF":0.0,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143578055","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Li-S-B Glass-Ceramics: A Novel electrode materials for energy storage technology","authors":"Jintara Padchasri ,&nbsp;Sumeth Siriroj ,&nbsp;Amorntep Montreeuppathum ,&nbsp;Phakkhananan Pakawanit ,&nbsp;Nattapol Laorodphan ,&nbsp;Narong Chanlek ,&nbsp;Yingyot Poo-arporn ,&nbsp;Pinit Kidkhunthod","doi":"10.1016/j.mset.2024.11.002","DOIUrl":"10.1016/j.mset.2024.11.002","url":null,"abstract":"<div><div>Future alternatives for an electrode lithium borate-based glass–ceramic (GC) has been developed for rechargeable lithium-ion batteries. The composition of the GC is xNiO-(0.20-x)MnO₂-0.80(Li₂S:B₂O₃), where x varies from 0.10, 0.13, 0.15, and 0.16. The GC were fabricated using the melt-quenching technique. The nature of the GC was determined using XRD examinations. The SEM-EDS analysis indicates the presence along with the distribution of components in the plate glasses. The battery charge/discharge tests showed that the 0.16NiO-0.04MnO₂-0.8(Li₂S:B₂O₃) (0.16Ni-0.04Mn) glass-ceramics exhibited a potential range of 0.8–1.1 V and a discharge capacity of 70 mAh.g⁻¹ during the first cycle. Additionally, these GC demonstrated excellent cycling stability for over 100 cycles. As the same time, electrical impedance spectroscopy (EIS) measurements showed that the Li diffusion coefficient in 0.16Ni-0.04Mn GC was found to be 0.34 × 10⁻¹⁰ and 0.75 × 10⁻¹¹ cm².s⁻¹ for before and after cycling, which is smaller than 0.10Ni-0.10Mn. Synchrotron-based XANES highlighted the oxidation state of Ni²⁺, as well as the mixing of Mn^2+/3+ and S⁻¹. The addition of Ni and Mn into the lithium-sulfur borate glass system has improved its electrochemical characteristics, making it a very interesting and economically viable option for energy storage technology electrodes.</div></div>","PeriodicalId":18283,"journal":{"name":"Materials Science for Energy Technologies","volume":"8 ","pages":"Pages 111-120"},"PeriodicalIF":0.0,"publicationDate":"2024-11-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142721787","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Selective hydrogenation of 1,3-butadiene to butenes on ceria-supported Pd, Ni and PdNi catalysts: Combined experimental and DFT outlook","authors":"Toyin Shittu ,&nbsp;Aasif A. Dabbawala ,&nbsp;Labeeb Ali ,&nbsp;Abbas Khaleel ,&nbsp;Muhammad Z. Iqbal ,&nbsp;Dalaver H. Anjum ,&nbsp;Kyriaki Polychronopoulou ,&nbsp;Mohammednoor Altarawneh","doi":"10.1016/j.mset.2024.11.001","DOIUrl":"10.1016/j.mset.2024.11.001","url":null,"abstract":"<div><div>The regulation of catalyst activity and selectivity using a reducible support for the industrially relevant hydrogenation of 1,3-butadiene to more valuable butene products was achieved. Supported palladium and nickel–palladium catalysts on ceria were prepared and characterized with hydrogen temperature programmed reduction (H₂-TPR), hydrogen temperature programmed desorption (H₂-TPD), X-ray photoelectron spectroscopy (XPS), high resolution transmission electron microscopy (HR-TEM), high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM), temperature programmed oxidation (TPO), energy dispersive spectroscopy (EDS), and N₂ adsorption–desorption to examine their chemical and physical properties. Pathways guiding the reaction were determined using the density functional theory (DFT). H₂-TPR confirmed that palladium oxide was reduced, and nickel oxide species strongly interacted with the CeO₂ support. The Ce³⁺ concentration determined by XPS showed that all catalysts surface contained the Ce reduced state. The catalysts showed a similar BET surface area, with 4Pd–Ce presenting the lowest value due to particle aggregation, which was confirmed from the EDS mapping analysis. Butadiene conversion consistently increased with temperature (40 °C–120 °C) until full conversion was reached on all the Pd catalysts while the maximum conversion on the 4Ni-Ce catalyst was 88 % at 120 °C. Product distribution revealed that 4 % Pd content directed the products toward butane when 40 °C was exceeded. Constructed mechanisms by DFT calculations featured low reaction barriers for the involved surface hydrogenation steps, and thus, they accounted for the observed low temperature of the surface hydrogenation activity. Selective formation of 1-butene partially stemmed from its relatively weak binding to Ni sites in reference to Pd sites. The mapped-out mechanisms entailed a higher reaction barrier for the formation of 2-butene, in agreement with the experimental observation pertinent to its formation at higher temperatures when compared with that of 1-butene.</div></div>","PeriodicalId":18283,"journal":{"name":"Materials Science for Energy Technologies","volume":"8 ","pages":"Pages 96-110"},"PeriodicalIF":0.0,"publicationDate":"2024-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142652258","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}