Yitong Wang , Yuhua Wang , Zuzhao Xiong , Xifei Li
{"title":"A novel “Snowflake”--rGO-CuO for ultrasonic degradation of rhodamine and methyl orange","authors":"Yitong Wang , Yuhua Wang , Zuzhao Xiong , Xifei Li","doi":"10.1016/j.nanoms.2023.10.007","DOIUrl":"10.1016/j.nanoms.2023.10.007","url":null,"abstract":"<div><p>Graphene-doped CuO (rGO-CuO) nanocomposites with flower shapes were prepared by an improved solvothermal method. The samples were characterized by X-ray diffraction, X-ray photoelectron spectroscopy and UV–visible spectroscopy. The active species in the degradation reaction of rGO-CuO composites under ultrasonic irradiation were detected by electron paramagnetic resonance. On the basis of comparative experiments, the photodegradation mechanisms of two typical dyes, Rhodamine B (Rh B) and methyl orange (MO), were proposed. The results demonstrated that the doped CuO could improve the degradation efficiency. The catalytic degradation efficiency of rGO-CuO (2:1) to rhodamine B (RhB) and methyl orange (MO) reached 90 % and 87 % respectively, which were 2.1 times and 4.4 times of the reduced graphene oxide. Through the first-principles and other theories, we give the reasons for the enhanced catalytic performance of rGO-CuO: combined with internal and external factors, rGO-CuO under ultrasound could produce more hole and active sites that could interact with the OH· in pollutant molecules to achieve degradation. The rGO-CuO nanocomposite has a simple preparation process and low price, and has a high efficiency of degrading water pollution products and no secondary pollution products. It has a low-cost and high-efficiency application prospect in water pollution industrial production and life.</p></div>","PeriodicalId":33573,"journal":{"name":"Nano Materials Science","volume":"6 3","pages":"Pages 365-373"},"PeriodicalIF":9.9,"publicationDate":"2024-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2589965123000685/pdfft?md5=7c2f2a93495ff485e2f481625b2b7184&pid=1-s2.0-S2589965123000685-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138495176","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Muhammad Ikram , Sawaira Moeen , Ali Haider , Anwar Ul-Hamid , Haya Alhummiany , Hamoud H. Somaily , Souraya Goumri-Said , Mohammed Benali Kanoun
{"title":"Experimental and computational study of annealed nickel sulfide quantum dots for catalytic and antibacterial activity","authors":"Muhammad Ikram , Sawaira Moeen , Ali Haider , Anwar Ul-Hamid , Haya Alhummiany , Hamoud H. Somaily , Souraya Goumri-Said , Mohammed Benali Kanoun","doi":"10.1016/j.nanoms.2023.11.007","DOIUrl":"10.1016/j.nanoms.2023.11.007","url":null,"abstract":"<div><p>This research investigates the hydrothermal synthesis and annealing duration effects on nickel sulfide (NiS<sub>2</sub>) quantum dots (QDs) for catalytic decolorization of methylene blue (MB) dye and antimicrobial efficacy. QD size increased with longer annealing, reducing catalytic activity. UV–vis, XRD, TEM, and FTIR analyses probed optical, structural, morphological, and vibrational features. XRD confirmed NiS2's anorthic structure, with crystallite size growing from 6.53 to 7.81 nm during extended annealing. UV–Vis exhibited a bathochromic shift, reflecting reduced band gap energy (Eg) in NiS<sub>2</sub>. TEM revealed NiS<sub>2</sub> QD formation, with agglomerated QD average size increasing from 7.13 to 9.65 nm with prolonged annealing. Pure NiS<sub>2</sub> showed significant MB decolorization (89.85%) in acidic conditions. Annealed NiS2 QDs demonstrated notable antibacterial activity, yielding a 6.15 mm inhibition zone against <em>Escherichia coli (E. coli)</em> compared to Ciprofloxacin. First-principles computations supported a robust interaction between MB and NiS<sub>2</sub>, evidenced by obtained adsorption energies. This study highlights the nuanced relationship between annealing duration, structural changes, and functional properties in NiS<sub>2</sub> QDs, emphasizing their potential applications in catalysis and antibacterial interventions.</p></div>","PeriodicalId":33573,"journal":{"name":"Nano Materials Science","volume":"6 3","pages":"Pages 355-364"},"PeriodicalIF":9.9,"publicationDate":"2024-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2589965123000752/pdfft?md5=0bd8d5aeed3cba89e18c8ba3f946129d&pid=1-s2.0-S2589965123000752-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138495181","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Extrusion 3D printing of carbon nanotube-assembled carbon aerogel nanocomposites with high electrical conductivity","authors":"Lukai Wang, Jing Men, Junzong Feng, Yonggang Jiang, Liangjun Li, Yijie Hu, Jian Feng","doi":"10.1016/j.nanoms.2023.09.002","DOIUrl":"10.1016/j.nanoms.2023.09.002","url":null,"abstract":"<div><p>Carbon nanotubes (CNTs) with high aspect ratio and excellent electrical conduction offer huge functional improvements for current carbon aerogels. However, there remains a major challenge for achieving the on-demand shaping of carbon aerogels with tailored micro-nano structural textures and geometric features. Herein, a facile extrusion 3D printing strategy has been proposed for fabricating CNT-assembled carbon (CNT/C) aerogel nanocomposites through the extrusion printing of pseudoplastic carbomer-based inks, in which the stable dispersion of CNT nanofibers has been achieved relying on the high viscosity of carbomer microgels. After extrusion printing, the chemical solidification through polymerizing RF sols enables 3D-printed aerogel nanocomposites to display high shape fidelity in macroscopic geometries. Benefiting from the micro-nano scale assembly of CNT nanofiber networks and carbon nanoparticle networks in composite phases, 3D-printed CNT/C aerogels exhibit enhanced mechanical strength (fracture strength, 0.79 MPa) and typical porous structure characteristics, including low density (0.220 g cm<sup>−3</sup>), high surface area (298.4 m<sup>2</sup> g<sup>−1</sup>), and concentrated pore diameter distribution (∼32.8 nm). More importantly, CNT nanofibers provide an efficient electron transport pathway, imparting 3D-printed CNT/C aerogel composites with a high electrical conductivity of 1.49 S cm<sup>−1</sup>. Our work would offer feasible guidelines for the design and fabrication of shape-dominated functional materials by additive manufacturing.</p></div>","PeriodicalId":33573,"journal":{"name":"Nano Materials Science","volume":"6 3","pages":"Pages 312-319"},"PeriodicalIF":9.9,"publicationDate":"2024-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2589965123000375/pdfft?md5=a31d266a0374ab469938dad66cc3b4d6&pid=1-s2.0-S2589965123000375-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"134994572","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"CuO–TiO2 based self-powered broad band photodetector","authors":"Chiranjib Ghosh , Arka Dey , Iman Biswas , Rajeev Kumar Gupta , Vikram Singh Yadav , Ashish Yadav , Neha Yadav , Hongyu Zheng , Mohamed Henini , Aniruddha Mondal","doi":"10.1016/j.nanoms.2023.11.003","DOIUrl":"10.1016/j.nanoms.2023.11.003","url":null,"abstract":"<div><p>An efficient room-temperature self-powered, broadband (300 nm–1100 nm) photodetector based on a CuO–TiO<sub>2</sub>/TiO<sub>2</sub>/p-Si(100) heterostructure is demonstrated. The CuO–TiO<sub>2</sub> nanocomposites were grown in a two-zone horizontal tube furnace on a 40 nm TiO<sub>2</sub> thin film deposited on a p-type Si(100) substrate. The CuO–TiO<sub>2</sub>/TiO<sub>2</sub>/p-Si(100) devices exhibited excellent rectification characteristics under dark and individual photo-illumination conditions. The devices showed remarkable photo-response under broadband (300–1100 nm) light illumination at zero bias voltage, indicating the achievement of highly sensitive self-powered photodetectors at visible and near-infrared light illuminations. The maximum response of the devices is observed at 300 nm for an illumination power of 10 W. The response and recovery times were calculated as 86 ms and 78 ms, respectively. Moreover, under a small bias, the devices showed a prompt binary response by altering the current from positive to negative under illumination conditions. The main reason behind this binary response is the low turn-on voltage and photovoltaic characteristics of the devices. Under illumination conditions, the generation of photocurrent is due to the separation of photogenerated electron-hole pairs within the built-in electric field at the CuO–TiO<sub>2</sub>/TiO<sub>2</sub> interface. These characteristics make the CuO–TiO<sub>2</sub>/TiO<sub>2</sub> broadband photodetectors suitable for applications that require high response speeds and self-sufficient functionality.</p></div>","PeriodicalId":33573,"journal":{"name":"Nano Materials Science","volume":"6 3","pages":"Pages 345-354"},"PeriodicalIF":9.9,"publicationDate":"2024-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2589965123000715/pdfft?md5=7012dc546d72adb8dcf8bd09cef1b193&pid=1-s2.0-S2589965123000715-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138495178","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Hanzheng Xing , Jiaxi Jiang , Yujia Wang , Yongpan Zeng , Xiaoyan Li
{"title":"Strengthening-softening transition and maximum strength in Schwarz nanocrystals","authors":"Hanzheng Xing , Jiaxi Jiang , Yujia Wang , Yongpan Zeng , Xiaoyan Li","doi":"10.1016/j.nanoms.2023.09.006","DOIUrl":"10.1016/j.nanoms.2023.09.006","url":null,"abstract":"<div><p>Recently, a Schwarz crystal structure with curved grain boundaries (GBs) constrained by twin-boundary (TB) networks was discovered in nanocrystalline Cu through experiments and atomistic simulations. Nanocrystalline Cu with nanosized Schwarz crystals exhibited high strength and excellent thermal stability. However, the grain-size effect and associated deformation mechanisms of Schwarz nanocrystals remain unknown. Here, we performed large-scale atomistic simulations to investigate the deformation behaviors and grain-size effect of nanocrystalline Cu with Schwarz crystals. Our simulations showed that similar to regular nanocrystals, Schwarz nanocrystals exhibit a strengthening-softening transition with decreasing grain size. The critical grain size in Schwarz nanocrystals is smaller than that in regular nanocrystals, leading to a maximum strength higher than that of regular nanocrystals. Our simulations revealed that the softening in Schwarz nanocrystals mainly originates from TB migration (or detwinning) and annihilation of GBs, rather than GB-mediated processes (including GB migration, sliding and diffusion) dominating the softening in regular nanocrystals. Quantitative analyses of simulation data further showed that compared with those in regular nanocrystals, the GB-mediated processes in Schwarz nanocrystals are suppressed, which is related to the low volume fraction of amorphous-like GBs and constraints of TB networks. The smaller critical grain size arises from the suppression of GB-mediated processes.</p></div>","PeriodicalId":33573,"journal":{"name":"Nano Materials Science","volume":"6 3","pages":"Pages 320-328"},"PeriodicalIF":9.9,"publicationDate":"2024-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2589965123000417/pdfft?md5=ce399eb35ebb4616780ee4e6103e15fb&pid=1-s2.0-S2589965123000417-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135763054","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Yawen Zhan , Guobin Zhang , Junda Shen , Binbin Zhou , Chenghao Zhao , Junmei Guo , Ming Wen , Zhilong Tan , Lirong Zheng , Jian Lu , Yang Yang Li
{"title":"Facile electrochemical surface-alloying and etching of Au wires to enable high-performance substrates for surface enhanced Raman scattering","authors":"Yawen Zhan , Guobin Zhang , Junda Shen , Binbin Zhou , Chenghao Zhao , Junmei Guo , Ming Wen , Zhilong Tan , Lirong Zheng , Jian Lu , Yang Yang Li","doi":"10.1016/j.nanoms.2023.05.002","DOIUrl":"10.1016/j.nanoms.2023.05.002","url":null,"abstract":"<div><p>Surface-enhanced Raman Spectroscopy (SERS) is a nondestructive technique for rapid detection of analytes even at the single-molecule level. However, highly sensitive and reliable SERS substrates are mostly fabricated with complex nanofabrication techniques, greatly restricting their practical applications. A convenient electrochemical method for transforming the surface of commercial gold wires/foils into silver-alloyed nanostructures is demonstrated in this report. Au substrates are treated with repetitive anodic and cathodic bias in an electrolyte of thiourea, in a one-pot one-step manner. X-rays absorption fine structure (XAFS) spectroscopy confirms that the AuAg alloy is induced at the surface. The unique AuAg alloyed surface nanostructures are particularly advantageous when served as SERS substrates, enabling a remarkably sensitive detection of Rhodamine B (a detection limit of 10<sup>−14</sup> M, and uniform strong response throughout the substrates at 10<sup>−12</sup> M).</p></div>","PeriodicalId":33573,"journal":{"name":"Nano Materials Science","volume":"6 3","pages":"Pages 305-311"},"PeriodicalIF":9.9,"publicationDate":"2024-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2589965123000193/pdfft?md5=70121262793c47646282984a2fee8e98&pid=1-s2.0-S2589965123000193-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135347959","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Phase composition, conductivity, and sensor properties of cerium-doped indium oxide","authors":"M.I. Ikim , G.N. Gerasimov , V.F. Gromov , O.J. Ilegbusi , L.I. Trakhtenberg","doi":"10.1016/j.nanoms.2023.09.001","DOIUrl":"10.1016/j.nanoms.2023.09.001","url":null,"abstract":"<div><p>The hydrothermal synthesis of In<sub>2</sub>O<sub>3</sub> and CeO<sub>2</sub>–In<sub>2</sub>O<sub>3</sub> is investigated as well as the properties of sensor layers based on these compounds. During the synthesis of In<sub>2</sub>O<sub>3</sub>, intermediate products In(OH)<sub>3</sub> and InOOH are formed, which are the precursors of stable cubic (c-In<sub>2</sub>O<sub>3</sub>) and metastable rhombohedral (rh-In<sub>2</sub>O<sub>3</sub>) phases, respectively. A transition from c-In<sub>2</sub>O<sub>3</sub> to rh-In<sub>2</sub>O<sub>3</sub> is observed with the addition of CeO<sub>2</sub>. The introduction of cerium into rh-In<sub>2</sub>O<sub>3</sub> results in a decrease in the sensor response to hydrogen, while it increases in composites based on c-In<sub>2</sub>O<sub>3</sub>. The data on the sensor activity of the composites correlate with XPS results in which CeO<sub>2</sub> causes a decrease in the concentrations of chemisorbed oxygen and oxygen vacancies in rh-In<sub>2</sub>O<sub>3</sub>. The reverse situation is observed in composites based on c-In<sub>2</sub>O<sub>3</sub>. Compared to In<sub>2</sub>O<sub>3</sub> and CeO<sub>2</sub>–In<sub>2</sub>O<sub>3</sub> obtained by other methods, the synthesized composites demonstrate maximum response to H<sub>2</sub> at low temperatures by 70–100 °C, and have short response time (0.2–0.5 s), short recovery time (6–7 s), and long-term stability. A model is proposed for the dependence of sensitivity on the direction of electron transfer between In<sub>2</sub>O<sub>3</sub> and CeO<sub>2</sub>.</p></div>","PeriodicalId":33573,"journal":{"name":"Nano Materials Science","volume":"6 2","pages":"Pages 193-200"},"PeriodicalIF":9.9,"publicationDate":"2024-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2589965123000363/pdfft?md5=9e21c4aeedafe4a945593dc63499e880&pid=1-s2.0-S2589965123000363-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135388240","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Rongrong Deng , Mengwei Guo , Chaowu Wang , Qibo Zhang
{"title":"Recent advances in cobalt phosphide-based materials for electrocatalytic water splitting: From catalytic mechanism and synthesis method to optimization design","authors":"Rongrong Deng , Mengwei Guo , Chaowu Wang , Qibo Zhang","doi":"10.1016/j.nanoms.2022.04.003","DOIUrl":"10.1016/j.nanoms.2022.04.003","url":null,"abstract":"<div><p>Electrochemical water splitting has long been considered an effective energy conversion technology for transferring intermittent renewable electricity into hydrogen fuel, and the exploration of cost-effective and high-performance electrocatalysts is crucial in making electrolyzed water technology commercially viable. Cobalt phosphide (Co-P) has emerged as a catalyst of high potential owing to its high catalytic activity and durability in water splitting. This paper systematically reviews the latest advances in the development of Co-P-based materials for use in water splitting. The essential effects of P in enhancing the catalytic performance of the hydrogen evolution reaction and oxygen evolution reaction are first outlined. Then, versatile synthesis techniques for Co-P electrocatalysts are summarized, followed by advanced strategies to enhance the electrocatalytic performance of Co-P materials, including heteroatom doping, composite construction, integration with well-conductive substrates, and structure control from the viewpoint of experiment. Along with these optimization strategies, the understanding of the inherent mechanism of enhanced catalytic performance is also discussed. Finally, some existing challenges in the development of highly active and stable Co-P-based materials are clarified, and prospective directions for prompting the wide commercialization of water electrolysis technology are proposed.</p></div>","PeriodicalId":33573,"journal":{"name":"Nano Materials Science","volume":"6 2","pages":"Pages 139-173"},"PeriodicalIF":9.9,"publicationDate":"2024-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S258996512200023X/pdfft?md5=bd1bfc987bc230126ee791e2e65f1dbb&pid=1-s2.0-S258996512200023X-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42710358","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Dan Lei , Ning Hu , Liangke Wu , Alamusi , Huiming Ning , Yang Wang , Zhaonan Jin , Yaolu Liu
{"title":"Improvement of the piezoelectricity of PVDF-HFP by CoFe2O4 nanoparticles","authors":"Dan Lei , Ning Hu , Liangke Wu , Alamusi , Huiming Ning , Yang Wang , Zhaonan Jin , Yaolu Liu","doi":"10.1016/j.nanoms.2023.03.002","DOIUrl":"10.1016/j.nanoms.2023.03.002","url":null,"abstract":"<div><p>High piezoelectric composite films composed of poly(vinylidene fluoride-co-hexafluoropropylene) (PVDF-HFP) and ferromagnetic cobalt ferrite (CoFe<sub>2</sub>O<sub>4</sub>) (0.00 wt% to 0.2 wt%) are prepared by a solution casting method accompanied by uniaxial stretching and high electric field poling. The decisive effect of the poling electric field on the power generating capability was confirmed by the experiments. For pure PVDF-HFP films, when the maximum electric field <em>E</em><sub>max</sub> is 120 MV/m, the calibrated open circuit voltage reaches 2.93 V, which is much higher than those poled at lower electric fields (70 MV/m: 1.41 V; 90 MV/m: 2.11 V). Furthermore, the addition of CoFe<sub>2</sub>O<sub>4</sub> also influences the piezoelectricity dramatically. In the samples containing 0.15 wt% CoFe<sub>2</sub>O<sub>4</sub>, the calibrated open circuit voltage increases to the maximum value of 3.57 V. Meanwhile, the relative fraction of the <em>β</em>-phase and the crystallinity degree are 99% and 48%, respectively. The effects of CoFe<sub>2</sub>O<sub>4</sub> nanoparticles on initial crystallization, uniaxial stretching and high electric field poling are investigated by XRD, FTIR and DSC.</p></div>","PeriodicalId":33573,"journal":{"name":"Nano Materials Science","volume":"6 2","pages":"Pages 201-210"},"PeriodicalIF":9.9,"publicationDate":"2024-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2589965123000089/pdfft?md5=b5a1bd88016de95bc3659a3ccbed7ede&pid=1-s2.0-S2589965123000089-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45779484","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Wendong Zhang , Wenjun Ma , Yuerui Ma , Peng Chen , Qingqing Ye , Yi Wang , Zhongwei Jiang , Yingqing Ou , Fan Dong
{"title":"Effects of surface chlorine atoms on charge distribution and reaction barriers for photocatalytic CO2 reduction","authors":"Wendong Zhang , Wenjun Ma , Yuerui Ma , Peng Chen , Qingqing Ye , Yi Wang , Zhongwei Jiang , Yingqing Ou , Fan Dong","doi":"10.1016/j.nanoms.2023.08.001","DOIUrl":"10.1016/j.nanoms.2023.08.001","url":null,"abstract":"<div><p>Photocatalytic CO<sub>2</sub> reduction to produce high value-added carbon-based fuel has been proposed as a promising approach to mitigate global warming issues. However, the conversion efficiency and product selectivity are still low due to the sluggish dynamics of transfer processes involved in proton-assisted multi-electron reactions. Lowering the formation energy barriers of intermediate products is an effective method to enhance the selectivity and productivity of final products. In this study, we aim to regulate the surface electronic structure of Bi<sub>2</sub>WO<sub>6</sub> by doping surface chlorine atoms to achieve effective photocatalytic CO<sub>2</sub> reduction. Surface Cl atoms can enhance the absorption ability of light, affect its energy band structure and promote charge separation. Combined with DFT calculations, it is revealed that surface Cl atoms can not only change the surface charge distribution which affects the competitive adsorption of H<sub>2</sub>O and CO<sub>2</sub>, but also lower the formation energy barrier of intermediate products to generate more intermediate ∗COOH, thus facilitating CO production. Overall, this study demonstrates a promising surface halogenation strategy to enhance the photocatalytic CO<sub>2</sub> reduction activity of a layered structure Bi-based catalyst.</p></div>","PeriodicalId":33573,"journal":{"name":"Nano Materials Science","volume":"6 2","pages":"Pages 235-243"},"PeriodicalIF":9.9,"publicationDate":"2024-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2589965123000338/pdfft?md5=a843448b98dd3033968f897001a2b251&pid=1-s2.0-S2589965123000338-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41883777","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}