Beilstein Journal of Nanotechnology最新文献

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Local work function on graphene nanoribbons. 石墨烯纳米带的局部功函数
IF 2.6 4区 材料科学
Beilstein Journal of Nanotechnology Pub Date : 2024-08-29 eCollection Date: 2024-01-01 DOI: 10.3762/bjnano.15.91
Daniel Rothhardt, Amina Kimouche, Tillmann Klamroth, Regina Hoffmann-Vogel
{"title":"Local work function on graphene nanoribbons.","authors":"Daniel Rothhardt, Amina Kimouche, Tillmann Klamroth, Regina Hoffmann-Vogel","doi":"10.3762/bjnano.15.91","DOIUrl":"10.3762/bjnano.15.91","url":null,"abstract":"<p><p>Graphene nanoribbons show exciting electronic properties related to the exotic nature of the charge carriers and to local confinement as well as atomic-scale structural details. The local work function provides evidence for such structural, electronic, and chemical variations at surfaces. Kelvin prove force microscopy can be used to measure the local contact potential difference (LCPD) between a probe tip and a surface, related to the work function. Here we use this technique to map the LCPD of graphene nanoribbons grown on a Au(111) substrate. The LCPD data shows charge transfer between the graphene nanoribbons and the gold substrate. Our results are corroborated with density functional theory calculations, which verify that the maps reflect the doping of the nanoribbons. Our results help to understand the relation between atomic structure and electronic properties both in high-resolution images and in the distance dependence of the LCPD.</p>","PeriodicalId":8802,"journal":{"name":"Beilstein Journal of Nanotechnology","volume":null,"pages":null},"PeriodicalIF":2.6,"publicationDate":"2024-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11368052/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142118904","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Direct electron beam writing of silver using a β-diketonate precursor: first insights. 使用β-二酮酸酯前驱体的直接电子束写银:初探。
IF 2.6 4区 材料科学
Beilstein Journal of Nanotechnology Pub Date : 2024-08-26 eCollection Date: 2024-01-01 DOI: 10.3762/bjnano.15.90
Katja Höflich, Krzysztof Maćkosz, Chinmai S Jureddy, Aleksei Tsarapkin, Ivo Utke
{"title":"Direct electron beam writing of silver using a β-diketonate precursor: first insights.","authors":"Katja Höflich, Krzysztof Maćkosz, Chinmai S Jureddy, Aleksei Tsarapkin, Ivo Utke","doi":"10.3762/bjnano.15.90","DOIUrl":"10.3762/bjnano.15.90","url":null,"abstract":"<p><p>Direct electron beam writing is a powerful tool for fabricating complex nanostructures in a single step. The electron beam locally cleaves the molecules of an adsorbed gaseous precursor to form a deposit, similar to 3D printing but without the need for a resist or development step. Here, we employ for the first time a silver β-diketonate precursor for focused electron beam-induced deposition (FEBID). The used compound (hfac)AgPMe<sub>3</sub> operates at an evaporation temperature of 70-80 °C and is compatible with commercially available gas injection systems used in any standard scanning electron microscope. Growth of smooth 3D geometries could be demonstrated for tightly focused electron beams, albeit with low silver content in the deposit volume. The electron beam-induced deposition proved sensitive to the irradiation conditions, leading to varying compositions of the deposit and internal inhomogeneities such as the formation of a layered structure consisting of a pure silver layer at the interface to the substrate covered by a deposit layer with low silver content. Imaging after the deposition process revealed morphological changes such as the growth of silver particles on the surface. While these effects complicate the application for 3D printing, the unique deposit structure with a thin, compact silver film beneath the deposit body is interesting from a fundamental point of view and may offer additional opportunities for applications.</p>","PeriodicalId":8802,"journal":{"name":"Beilstein Journal of Nanotechnology","volume":null,"pages":null},"PeriodicalIF":2.6,"publicationDate":"2024-08-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11368048/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142118903","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Recent updates in applications of nanomedicine for the treatment of hepatic fibrosis. 应用纳米药物治疗肝纤维化的最新进展。
IF 2.6 4区 材料科学
Beilstein Journal of Nanotechnology Pub Date : 2024-08-23 eCollection Date: 2024-01-01 DOI: 10.3762/bjnano.15.89
Damai Ria Setyawati, Fransiska Christydira Sekaringtyas, Riyona Desvy Pratiwi, A'liyatur Rosyidah, Rohimmahtunnissa Azhar, Nunik Gustini, Gita Syahputra, Idah Rosidah, Etik Mardliyati, Tarwadi, Sjaikhurrizal El Muttaqien
{"title":"Recent updates in applications of nanomedicine for the treatment of hepatic fibrosis.","authors":"Damai Ria Setyawati, Fransiska Christydira Sekaringtyas, Riyona Desvy Pratiwi, A'liyatur Rosyidah, Rohimmahtunnissa Azhar, Nunik Gustini, Gita Syahputra, Idah Rosidah, Etik Mardliyati, Tarwadi, Sjaikhurrizal El Muttaqien","doi":"10.3762/bjnano.15.89","DOIUrl":"10.3762/bjnano.15.89","url":null,"abstract":"<p><p>Over recent decades, nanomedicine has played an important role in the enhancement of therapeutic outcomes compared to those of conventional therapy. At the same time, nanoparticle drug delivery systems offer a significant reduction in side effects of treatments by lowering the off-target biodistribution of the active pharmaceutical ingredients. Cancer nanomedicine represents the most extensively studied nanotechnology application in the field of pharmaceutics and pharmacology since the first nanodrug for cancer treatment, liposomal doxorubicin (Doxil<sup>®</sup>), has been approved by the FDA. The advancement of cancer nanomedicine and its enormous technological success also included various other target diseases, including hepatic fibrosis. This confirms the versatility of nanomedicine for improving therapeutic activity. In this review, we summarize recent updates of nanomedicine platforms for improving therapeutic efficacy regarding liver fibrosis. We first emphasize the challenges of conventional drugs for penetrating the biological barriers of the liver. After that, we highlight design principles of nanocarriers for achieving improved drug delivery of antifibrosis drugs through passive and active targeting strategies.</p>","PeriodicalId":8802,"journal":{"name":"Beilstein Journal of Nanotechnology","volume":null,"pages":null},"PeriodicalIF":2.6,"publicationDate":"2024-08-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11346304/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142071915","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Unveiling the potential of alginate-based nanomaterials in sensing technology and smart delivery applications. 揭示海藻酸盐纳米材料在传感技术和智能传输应用中的潜力。
IF 2.6 4区 材料科学
Beilstein Journal of Nanotechnology Pub Date : 2024-08-22 eCollection Date: 2024-01-01 DOI: 10.3762/bjnano.15.88
Shakhzodjon Uzokboev, Khojimukhammad Akhmadbekov, Ra'no Nuritdinova, Salah M Tawfik, Yong-Ill Lee
{"title":"Unveiling the potential of alginate-based nanomaterials in sensing technology and smart delivery applications.","authors":"Shakhzodjon Uzokboev, Khojimukhammad Akhmadbekov, Ra'no Nuritdinova, Salah M Tawfik, Yong-Ill Lee","doi":"10.3762/bjnano.15.88","DOIUrl":"10.3762/bjnano.15.88","url":null,"abstract":"<p><p>Sensors are applied to many fields nowadays because of their high sensitivity, low cost, time-saving, user-friendly, and excellent selectivity. Current biomedical and pharmaceutical science has one focus on developing nanoparticle-based sensors, especially biopolymeric nanoparticles. Alginate is a widely used biopolymer in a variety of applications. The hydrogel-forming characteristic, the chemical structure with hydroxy and carboxylate moieties, biocompatibility, biodegradability, and water solubility of alginate have expanded opportunities in material and biomedical sciences. Recently, research on alginate-based nanoparticles and their applications has begun. These materials are gaining popularity because of their wide usage potential in the biomedical and pharmaceutical fields. Many review papers describe applications of alginate in the drug delivery field. The current study covers the structural and physicochemical properties of alginate-based nanoparticles. The prospective applications of alginate-based nanomaterials in various domains are discussed, including drug delivery and environmental sensing applications for humidity, heavy metals, and hydrogen peroxide. Moreover, biomedical sensing applications of alginate-based nanoparticles regarding various analytes such as glucose, cancer cells, pharmaceutical drugs, and human motion will also be reviewed in this paper. Future research scopes highlight existing challenges and solutions.</p>","PeriodicalId":8802,"journal":{"name":"Beilstein Journal of Nanotechnology","volume":null,"pages":null},"PeriodicalIF":2.6,"publicationDate":"2024-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11346306/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142071917","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Signal generation in dynamic interferometric displacement detection. 动态干涉位移检测中的信号生成。
IF 2.6 4区 材料科学
Beilstein Journal of Nanotechnology Pub Date : 2024-08-20 eCollection Date: 2024-01-01 DOI: 10.3762/bjnano.15.87
Knarik Khachatryan, Simon Anter, Michael Reichling, Alexander von Schmidsfeld
{"title":"Signal generation in dynamic interferometric displacement detection.","authors":"Knarik Khachatryan, Simon Anter, Michael Reichling, Alexander von Schmidsfeld","doi":"10.3762/bjnano.15.87","DOIUrl":"10.3762/bjnano.15.87","url":null,"abstract":"<p><p>Laser interferometry is a well-established and widely used technique for precise displacement measurements. In a non-contact atomic force microscope (NC-AFM), it facilitates the force measurement by recording the periodic displacement of an oscillating microcantilever. To understand signal generation in a NC-AFM-based Michelson-type interferometer, we evaluate the non-linear response of the interferometer to the harmonic displacement of the cantilever in the time domain. As the interferometer signal is limited in amplitude because of the spatial periodicity of the interferometer light field, an increasing cantilever oscillation amplitude creates an output signal with an increasingly complex temporal structure. By the fit of a model to the measured time-domain signal, all parameters governing the interferometric displacement signal can precisely be determined. It is demonstrated, that such an analysis specifically allows for the calibration of the cantilever oscillation amplitude with 2% accuracy.</p>","PeriodicalId":8802,"journal":{"name":"Beilstein Journal of Nanotechnology","volume":null,"pages":null},"PeriodicalIF":2.6,"publicationDate":"2024-08-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11346308/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142071916","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Effect of wavelength and liquid on formation of Ag, Au, Ag/Au nanoparticles via picosecond laser ablation and SERS-based detection of DMMP. 波长和液体对通过皮秒激光烧蚀形成银、金、银/金纳米粒子的影响以及基于 SERS 的 DMMP 检测。
IF 2.6 4区 材料科学
Beilstein Journal of Nanotechnology Pub Date : 2024-08-19 eCollection Date: 2024-01-01 DOI: 10.3762/bjnano.15.86
Sree Satya Bharati Moram, Chandu Byram, Venugopal Rao Soma
{"title":"Effect of wavelength and liquid on formation of Ag, Au, Ag/Au nanoparticles via picosecond laser ablation and SERS-based detection of DMMP.","authors":"Sree Satya Bharati Moram, Chandu Byram, Venugopal Rao Soma","doi":"10.3762/bjnano.15.86","DOIUrl":"10.3762/bjnano.15.86","url":null,"abstract":"<p><p>The present study investigates the effects of input wavelength (1064, 532, and 355 nm) and surrounding liquid environment (distilled water and aqueous NaCl solution) on the picosecond laser ablation on silver (Ag), gold (Au), and Ag/Au alloy targets. The efficacy of the laser ablation technique was meticulously evaluated by analyzing the ablation rates, surface plasmon resonance peak positions, and particle size distributions of the obtained colloids. The nanoparticles (NPs) were characterized using the techniques of UV-visible absorption, transmission electron microscopy, and energy-dispersive X-ray spectroscopy. Furthermore, NPs of various sizes ranging from 6 to 35 nm were loaded onto a filter paper by a simple and effective drop-casting approach to achieve flexible surface-enhanced Raman spectroscopy (SERS) substrates/sensors. These substrates were tested using a simple, portable Raman device to identify various hazardous chemicals (malachite green, methyl salicylate, and thiram). The stability of the substrates was also systematically investigated by determining the decay percentages in the SERS signals over 60 days. The optimized SERS substrate was subsequently employed to detect chemical warfare agent (CWA) simulants such as methyl salicylate (a CWA simulant for sulfur mustard) and dimethyl methyl phosphonate (has some structural similarities to the G-series nerve agents) at different laser excitations (325, 532, and 633 nm). A notably higher SERS efficiency for CWA simulants was observed at a 325 nm Raman excitation. Our findings reveal that a higher ablation yield was observed at IR irradiation than those obtained at the other wavelengths. A size decrease of the NPs was noticed by changing the liquid environment to an electrolyte. These findings have significant implications for developing more efficient and stable SERS substrates for chemical detection applications.</p>","PeriodicalId":8802,"journal":{"name":"Beilstein Journal of Nanotechnology","volume":null,"pages":null},"PeriodicalIF":2.6,"publicationDate":"2024-08-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11346305/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142071914","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Interface properties of nanostructured carbon-coated biological implants: an overview. 纳米结构碳涂层生物植入物的界面特性:综述。
IF 2.6 4区 材料科学
Beilstein Journal of Nanotechnology Pub Date : 2024-08-16 eCollection Date: 2024-01-01 DOI: 10.3762/bjnano.15.85
Mattia Bartoli, Francesca Cardano, Erik Piatti, Stefania Lettieri, Andrea Fin, Alberto Tagliaferro
{"title":"Interface properties of nanostructured carbon-coated biological implants: an overview.","authors":"Mattia Bartoli, Francesca Cardano, Erik Piatti, Stefania Lettieri, Andrea Fin, Alberto Tagliaferro","doi":"10.3762/bjnano.15.85","DOIUrl":"10.3762/bjnano.15.85","url":null,"abstract":"<p><p>The interfaces between medical implants and living tissues are of great complexity because of the simultaneous occurrence of a wide variety of phenomena. The engineering of implant surfaces represents a crucial challenge in material science, but the further improvement of implant properties remains a critical task. It can be achieved through several processes. Among them, the production of specialized coatings based on carbon-based materials stands very promising. The use of carbon coatings allows one to simultaneously fine-tune tribological, mechanical, and chemical properties. Here, we review applications of nanostructured carbon coatings (nanodiamonds, carbon nanotubes, and graphene-related materials) for the improvement of the overall properties of medical implants. We are focusing on biological interactions, improved corrosion resistance, and overall mechanical properties, trying to provide a complete overview within the field.</p>","PeriodicalId":8802,"journal":{"name":"Beilstein Journal of Nanotechnology","volume":null,"pages":null},"PeriodicalIF":2.6,"publicationDate":"2024-08-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11331541/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142003542","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Bolometric IR photoresponse based on a 3D micro-nano integrated CNT architecture. 基于三维微纳集成碳纳米管结构的波长红外光响应。
IF 2.6 4区 材料科学
Beilstein Journal of Nanotechnology Pub Date : 2024-08-15 eCollection Date: 2024-01-01 DOI: 10.3762/bjnano.15.84
Yasameen Al-Mafrachi, Sandeep Yadav, Sascha Preu, Jörg J Schneider, Oktay Yilmazoglu
{"title":"Bolometric IR photoresponse based on a 3D micro-nano integrated CNT architecture.","authors":"Yasameen Al-Mafrachi, Sandeep Yadav, Sascha Preu, Jörg J Schneider, Oktay Yilmazoglu","doi":"10.3762/bjnano.15.84","DOIUrl":"10.3762/bjnano.15.84","url":null,"abstract":"<p><p>A new 3D micro-nano integrated M-shaped carbon nanotube (CNT) architecture was designed and fabricated. It is based on vertically aligned carbon nanotube arrays composed of low-density, mainly double-walled CNTs with simple lateral external contacts to the surroundings. Standard optical lithography techniques were used to locally tailor the width of the vertical block structure. The complete sensor system, based on a broadband blackbody absorber region and a high-resistance thermistor region, can be fabricated in a single chemical vapor deposition process step. The thermistor resistance is mainly determined by the high junction resistances of the adjacent aligned CNTs. This configuration also provides low lateral thermal conductivity and a high temperature coefficient of resistance (TCR). These properties are advantageous for new bolometric sensors with high voltage responsivity and broadband absorption from the infrared (IR) to the terahertz spectrum. Preliminary performance evaluations have shown current and voltage responsivities of 2 mA/W and 30 V/W, respectively, in response to IR (980 nm) absorption for a 20 × 20 μm<sup>2</sup> device. The device exhibits an exceptionally fast response time of ≈0.15 ms, coupled with a TCR of -0.91 %/K. These attributes underscore its high operating speed and responsivity, respectively. In particular, the device maintains excellent thermal stability and reliable operation at elevated temperatures in excess of 200 °C, extending its potential utility in challenging environmental conditions. This design allows for further device miniaturization using optical lithography techniques. Its unique properties for mass production through large-scale integration techniques make it important for real-time broadband imaging systems.</p>","PeriodicalId":8802,"journal":{"name":"Beilstein Journal of Nanotechnology","volume":null,"pages":null},"PeriodicalIF":2.6,"publicationDate":"2024-08-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11331537/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142003540","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Entry of nanoparticles into cells and tissues: status and challenges. 纳米颗粒进入细胞和组织:现状与挑战。
IF 2.6 4区 材料科学
Beilstein Journal of Nanotechnology Pub Date : 2024-08-12 eCollection Date: 2024-01-01 DOI: 10.3762/bjnano.15.83
Kirsten Sandvig, Tore Geir Iversen, Tore Skotland
{"title":"Entry of nanoparticles into cells and tissues: status and challenges.","authors":"Kirsten Sandvig, Tore Geir Iversen, Tore Skotland","doi":"10.3762/bjnano.15.83","DOIUrl":"10.3762/bjnano.15.83","url":null,"abstract":"<p><p>In this article we discuss how nanoparticles (NPs) of different compositions may interact with and be internalized by cells, and the consequences of that for cellular functions. A large number of NPs are made with the intention to improve cancer treatment, the goal being to increase the fraction of injected drug delivered to the tumor and thereby improve the therapeutic effect and decrease side effects. Thus, we discuss how NPs are delivered to tumors and some challenges related to investigations of biodistribution, pharmacokinetics, and excretion. Finally, we discuss requirements for bringing NPs into clinical use and aspects when it comes to usage of complex and slowly degraded or nondegradable NPs.</p>","PeriodicalId":8802,"journal":{"name":"Beilstein Journal of Nanotechnology","volume":null,"pages":null},"PeriodicalIF":2.6,"publicationDate":"2024-08-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11331539/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142003541","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Can neutral clusters: a two-step G0W0 and DFT benchmark 中性簇:两步 G0W0 和 DFT 基准
IF 2.6 4区 材料科学
Beilstein Journal of Nanotechnology Pub Date : 2024-08-08 DOI: 10.3762/bjnano.15.82
S. Bakhsh, Sameen Aslam, Muhammad Khalid, M. Sohail, Sundas Zafar, Sumayya Abdul Wadood, K. Morsy, Muhammad Aamir Iqbal
{"title":"Can neutral clusters: a two-step G0W0 and DFT benchmark","authors":"S. Bakhsh, Sameen Aslam, Muhammad Khalid, M. Sohail, Sundas Zafar, Sumayya Abdul Wadood, K. Morsy, Muhammad Aamir Iqbal","doi":"10.3762/bjnano.15.82","DOIUrl":"https://doi.org/10.3762/bjnano.15.82","url":null,"abstract":"Electronic and structural properties of calcium clusters with a varying size range of 2–20 atoms are studied using a two-step scheme within the GW and density functional theory (DFT) with generalized gradient approximation (GGA). The GGA overestimates the binding energies, optimized geometries, electron affinities, and ionization potentials reported in the benchmark. The ground-state structure geometry and binding energy were obtained from the DFT for the ground-state structure of each cluster. The binding energy of the neutral clusters of the calcium series follows an increasing trend, except for a few stable even and odd clusters. The electronic properties of the calcium cluster were studied with an all-electron FHI-aims code. In the G0W0 calculation, the magic cluster Ca10 has relatively high ionization potential and low electron affinity. The obtained ionization potentials from the G0W0@PBE calculation showed that the larger cluster has less variation, whereas the electron affinities of the series have an increasing trend. The ionization potentials from the G0W0 benchmark for the calcium cluster series have not yet been described in the literature.","PeriodicalId":8802,"journal":{"name":"Beilstein Journal of Nanotechnology","volume":null,"pages":null},"PeriodicalIF":2.6,"publicationDate":"2024-08-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141926941","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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