Small SciencePub Date : 2024-10-06eCollection Date: 2025-01-01DOI: 10.1002/smsc.202400370
Muhammad Hamza Nazir, Tu C Le, Imtisal Zahid, Karma Zuraiqi, Mew P Aukarasereenont, Caiden J Parker, Pierre H A Vaillant, Fahad Jabbar, Chung Kim Nguyen, Mehmood Irfan, Mariam Ameen, Michelle J S Spencer, Andrew J Christofferson, Salvy P Russo, Ken Chiang, Nastaran Meftahi, Torben Daeneke, Dan Yang
{"title":"Liquid Metal Electrocatalyst with Ultralow Pt Loading for Ethanol Oxidation.","authors":"Muhammad Hamza Nazir, Tu C Le, Imtisal Zahid, Karma Zuraiqi, Mew P Aukarasereenont, Caiden J Parker, Pierre H A Vaillant, Fahad Jabbar, Chung Kim Nguyen, Mehmood Irfan, Mariam Ameen, Michelle J S Spencer, Andrew J Christofferson, Salvy P Russo, Ken Chiang, Nastaran Meftahi, Torben Daeneke, Dan Yang","doi":"10.1002/smsc.202400370","DOIUrl":"https://doi.org/10.1002/smsc.202400370","url":null,"abstract":"<p><p>Developing efficient and durable electrocatalysts for ethanol electro-oxidation is crucial for enabling the application of direct ethanol fuel cell technology. Herein, it is demonstrated that Pt-Ga liquid metal-based nanodroplets can serve as an efficient electrocatalyst to drive ethanol oxidation. The mass activity of Pt is significantly improved by alloying with liquid gallium. Guided by machine learning neural networks, a low-concentration alkaline electrolyte is specifically formulated to allow electrodes with ultralow Pt loading to demonstrate remarkable activity toward ethanol oxidation with a mass activity as high as 13.47 A mg<sup>-1</sup> <sub>Pt</sub>, which is more than 14 times higher than that of commercial Pt/C electrocatalysts (i.e., 0.76 A mg<sup>-1</sup> <sub>Pt</sub>). Computational studies reveal that the superior activity is associated with the presence of Ga oxides adjacent to Pt on the catalyst surface which leads to energetically favorable pathways for the oxidation process. The findings reveal untapped opportunities in the realm of liquid metal catalysis and hold great promise for the future development of high-performance alcohol fuel cells.</p>","PeriodicalId":29791,"journal":{"name":"Small Science","volume":"5 1","pages":"2400370"},"PeriodicalIF":11.1,"publicationDate":"2024-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11935015/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144051190","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":"Rational Doping Strategy to Build the First Solution-Processed p-n Homojunction Architecture toward Silicon Quantum Dot Photodetectors.","authors":"Batu Ghosh, Hiroyuki Yamada, Kazuhiro Nemoto, Wipakorn Jevasuwan, Naoki Fukata, Hon-Tao Sun, Naoto Shirahata","doi":"10.1002/smsc.202400367","DOIUrl":"https://doi.org/10.1002/smsc.202400367","url":null,"abstract":"<p><p>Semiconductor p-n homojunction is a requisite building block of operating transistors and diodes which make up the modern electronic circuits and optoelectronic applications. However, it has been so far limited to bulk form of single crystals such as silicon (Si) or gallium arsenide. Herein, a brand-new method of constructing p-n homojunction architectures that breaks through the limitation is presented. Colloidal inks of p-type and n-type Si quantum dots (QDs) are synthesized by thermal disproportionation of (HSiO<sub>1.5</sub>) <sub><i>n</i></sub> doped with boron or phosphorus, followed by surface ligand engineering. Analysis combining UV photoelectron spectroscopy, electron spin resonance, and current-voltage characteristics confirms that an orthogonal solvent trick makes clean interfaces between n-type and p-type SiQD layers without disruption on film formation. The forward and reverse current-voltage characteristics of the diode, along with various spectroscopic characterizations, demonstrate the formation of the first p-n homojunction of SiQDs. The self-powered photodiode provides a tunable response specific to the wavelength.</p>","PeriodicalId":29791,"journal":{"name":"Small Science","volume":"4 12","pages":"2400367"},"PeriodicalIF":11.1,"publicationDate":"2024-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11935281/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144050644","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}
Small SciencePub Date : 2024-10-01eCollection Date: 2025-01-01DOI: 10.1002/smsc.202400371
Maria Bokova, Mohammad Kassem, Takeshi Usuki, Andrey Tverjanovich, Anton Sokolov, Daniele Fontanari, Alex C Hannon, Chris J Benmore, Igor Alekseev, Shinji Kohara, Pascal Roussel, Maxim Khomenko, Koji Ohara, Yohei Onodera, Arnaud Cuisset, Eugene Bychkov
{"title":"Rigidity-Driven Structural Isomers in the NaCl-Ga<sub>2</sub>S<sub>3</sub> System: Implications for Energy Storage.","authors":"Maria Bokova, Mohammad Kassem, Takeshi Usuki, Andrey Tverjanovich, Anton Sokolov, Daniele Fontanari, Alex C Hannon, Chris J Benmore, Igor Alekseev, Shinji Kohara, Pascal Roussel, Maxim Khomenko, Koji Ohara, Yohei Onodera, Arnaud Cuisset, Eugene Bychkov","doi":"10.1002/smsc.202400371","DOIUrl":"https://doi.org/10.1002/smsc.202400371","url":null,"abstract":"<p><p>Alternative energy sources require the search for innovative materials with promising functionalities. Systems with unusual chemical properties represent an insufficiently explored domain, concealing unexpected features. Using diffraction and Raman spectroscopy over a wide temperature range, supported by first-principles simulations, a rare phenomenon is unveiled: phase-dependent chemical interactions between binary components in the NaCl-Ga<sub>2</sub>S<sub>3</sub> system. In this unique occurrence, previously intact binary crystalline species transform upon melting into mixed liquid structural isomers, forming bonds with new partners. The chemical combinatorics appears to be fully reversible for stable crystals and liquids. Despite this, rapidly frozen glasses out of thermodynamic equilibrium remain in a metastable isomeric state, offering remarkable properties, particularly a high room-temperature Na<sup>+</sup> conductivity, comparable to the best sodium halide superionic conductors and therefore encouraging for sodium solid-state batteries and energy applications. A rigidity paradigm is responsible for the observed phenomenon, as the extremely constrained Ga<sub>2</sub>S<sub>3</sub> crystal lattice does not survive viscous flow, breaking up at a short-range level. The removal of rigidity constraints and dense packing leads to a significant increase in empty space, which is the origin of high sodium diffusivity. Broadly, the rigidity-driven structural isomerism opens up an inspiring path to the discovery of atypical materials.</p>","PeriodicalId":29791,"journal":{"name":"Small Science","volume":"5 1","pages":"2400371"},"PeriodicalIF":11.1,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11935002/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144019002","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}
Small SciencePub Date : 2024-10-01eCollection Date: 2024-12-01DOI: 10.1002/smsc.202400432
Laura I FitzGerald, Erin E Hahn, Mark Wallace, Sarah A Stephenson, Oliver F Berry, Cara M Doherty
{"title":"Capture and Protection of Environmental DNA in a Metal-Organic Framework.","authors":"Laura I FitzGerald, Erin E Hahn, Mark Wallace, Sarah A Stephenson, Oliver F Berry, Cara M Doherty","doi":"10.1002/smsc.202400432","DOIUrl":"https://doi.org/10.1002/smsc.202400432","url":null,"abstract":"<p><p>Environmental DNA (eDNA) is released by organisms into their surroundings, enabling non-invasive species detection and biodiversity assessments without the need for direct observation. However, collection poses challenges due to the generally low abundance of eDNA and the presence of degradation agents, including enzymes, UV radiation, and microorganisms, rendering samples unstable. Active filtration, which is frequently used to capture eDNA in water, can be time-consuming and cumbersome in field conditions. Herein, a filter-free one-pot procedure for capturing eDNA with the metal-organic framework (MOF), zeolitic imidazolate framework 8 (ZIF-8), is examined. The method is evaluated on 15 mL water samples from diverse sources (aquarium, river, and sea). ZIF-8 forms in all with high capture efficiency (>98%) using spiked salmon DNA to represent eDNA. The DNA is resistant to degradation by endonucleases and UV light. In addition, it remains stable over time as a species-specific salmon quantitative polymerase chain reaction detected genomic DNA in all samples captured with the MOF to a maximum of 28 days at 37 °C while the untreated control samples were below the assay detection limit by day 6. These results highlight the efficacy of ZIF-8 capture in overcoming challenges associated with the preservation of eDNA obtained from aquatic environments.</p>","PeriodicalId":29791,"journal":{"name":"Small Science","volume":"4 12","pages":"2400432"},"PeriodicalIF":11.1,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11935135/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144040049","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}
Small SciencePub Date : 2024-09-29eCollection Date: 2024-11-01DOI: 10.1002/smsc.202400296
Clara Linder, Robert Boyd, Grzegorz Greczynski, Mikhail Vagin, Daniel Lundin, Karin Törne, Per Eklund, Emma M Björk
{"title":"Enhanced Oxygen-Reaction Electrocatalysis and Corrosion Resistance of CoCrFeNi Thin Films by Tuned Microstructure and Surface Oxidation.","authors":"Clara Linder, Robert Boyd, Grzegorz Greczynski, Mikhail Vagin, Daniel Lundin, Karin Törne, Per Eklund, Emma M Björk","doi":"10.1002/smsc.202400296","DOIUrl":"https://doi.org/10.1002/smsc.202400296","url":null,"abstract":"<p><p>Oxygen electrocatalysts play a key role in renewable and fossil-free energy production. Bifunctional catalysts active for oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) allow use of the same material system for both energy production (ORR) and fuel generation (OER). However, optimizing the performance of bifunctional catalysts requires in depth understanding of the catalyst structure, its surface chemistry in terms of active sites and the underlying catalytic mechanism. Here, the catalytic performance of CoCrFeNi thin films is investigated, synthesized using high-power impulse magnetron sputtering, as bifunctional oxygen electrocatalysts. The film crystal structure and morphology, and thereby the catalytic performance, can be tuned by the ion acceleration (bias) to the substrate. To further enhance the catalytic activity, anodization is used to electrochemically modify the films, forming a thicker oxide layer enriched in Co and Ni cations which significantly improves the ORR performance. Anodization improves the catalyst stability during OER, with an OER potential of 1.45 V versus the reversible hydrogen electrode (RHE) at 10 mA cm<sup>-2</sup> for more than 24 h. While the corrosion resistance is high both before and after anodization, in terms of catalytic activity the anodized films outperformed the as-deposited ones. This makes anodized films excellent electrocatalyst candidates in corrosive alkaline environments such as fuel cells and electrolyzers.</p>","PeriodicalId":29791,"journal":{"name":"Small Science","volume":"4 11","pages":"2400296"},"PeriodicalIF":11.1,"publicationDate":"2024-09-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11935288/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144017056","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}
Small SciencePub Date : 2024-09-26eCollection Date: 2025-01-01DOI: 10.1002/smsc.202400411
Zahra Lotfibakalani, Borui Liu, Monalisha Ghosh Dastidar, Thành Trân-Phú, Krishnan Murugappan, Parisa Moazzam, David R Nisbet, Antonio Tricoli
{"title":"Optimal Biofunctionalization of Gold Nanoislands for Electrochemical Detection of Soluble Programmed Death Ligand 1.","authors":"Zahra Lotfibakalani, Borui Liu, Monalisha Ghosh Dastidar, Thành Trân-Phú, Krishnan Murugappan, Parisa Moazzam, David R Nisbet, Antonio Tricoli","doi":"10.1002/smsc.202400411","DOIUrl":"https://doi.org/10.1002/smsc.202400411","url":null,"abstract":"<p><p>Soluble programmed death ligand-1 (sPD-L1), a pivotal immune checkpoint protein, serves as a biomarker for evaluating the efficacy of cancer therapies. Aptamers, as highly stable and specific recognition elements, play an essential role in emerging point-of-care diagnostic technologies. Yet, crucial advancements rely on engineering the intricate interaction between aptamers and sensor substrates to achieve specificity and signal enhancement. Here, a comprehensive physicochemical characterization and performance optimization of a sPD-L1 aptamer-based biosensor by a complementary set of state-of-the-art methodologies is presented, including atomic force microscopy-based infrared spectroscopy and high-resolution transmission electron microscopy, providing critical insights on the surface coverage and binding mechanism. The optimal nanoaptasensors detect sPD-L1 across a wide concentration range (from am to μm) with a detection limit of 0.76 am in both buffer and mouse serum samples. These findings, demonstrating superior selectivity, reproducibility, and stability, pave the way for engineering miniaturized point-of-care and portable biosensors for cancer diagnostics.</p>","PeriodicalId":29791,"journal":{"name":"Small Science","volume":"5 1","pages":"2400411"},"PeriodicalIF":11.1,"publicationDate":"2024-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11935212/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144037364","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}
Small SciencePub Date : 2024-09-26eCollection Date: 2025-01-01DOI: 10.1002/smsc.202400414
Dagang Li, Jinze Zhao, Yuan Wang, Jialu Wang, Zhenjuan Sun, Fuxin Wei, Gang Wei, Zhengang Sun
{"title":"Recent Advances in the Design and Structural/Functional Regulations of Biomolecule-Reinforced Graphene Materials for Bone Tissue Engineering Applications.","authors":"Dagang Li, Jinze Zhao, Yuan Wang, Jialu Wang, Zhenjuan Sun, Fuxin Wei, Gang Wei, Zhengang Sun","doi":"10.1002/smsc.202400414","DOIUrl":"https://doi.org/10.1002/smsc.202400414","url":null,"abstract":"<p><p>Biomolecule-reinforced graphene materials (Bio-RGMs) have emerged as versatile matrices for biomedical and tissue engineering applications, owing to the combination of graphene-based materials (GMs) with biomolecular components and their synergistic effects. In this review, an overview of the design, synthesis, structural/functional regulation, and bone engineering applications of various Bio-RGMs is provided. Both covalent and noncovalent methods for conjugating biomolecules onto GMs, followed by an exploration of the structural diversity of Bio-RGMs, ranging from 1D nanofibers to 2D membranes and 3D scaffolds/hydrogels/aerogels are discussed. Techniques such as electrospinning, self-assembly, freeze-drying, 3D printing, and templated synthesis are highlighted for their roles in designing and fabricating Bio-RGM architectures. Additionally, specific properties and functions endowed to Bio-RGMs by biomolecule conjugation, including biocompatibility, cytotoxicity, antibacterial activity, drug delivery ability, and fluorescent sensing are examined. Finally, recent advance is showcased in fabricating Bio-RGMs for the bone tissue engineering applications of bone repair, regeneration, grafting, drug/cell delivery, and tumor inhibition, and further, the potential of Bio-RGMs for preclinical applications is analyzed. It is believed that this review will deepen readers' understanding of biomolecule-GM interactions and inspire the development of innovative Bio-RGMs for advanced biomedical and tissue engineering applications.</p>","PeriodicalId":29791,"journal":{"name":"Small Science","volume":"5 1","pages":"2400414"},"PeriodicalIF":11.1,"publicationDate":"2024-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11935102/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144056434","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}
Small SciencePub Date : 2024-09-26eCollection Date: 2024-11-01DOI: 10.1002/smsc.202400297
Jialiang Shen, Byung-Il Noh, Pengyu Chen, Siyuan Dai
{"title":"Scanning Probe Nano-Infrared Imaging and Spectroscopy of Biochemical and Natural Materials.","authors":"Jialiang Shen, Byung-Il Noh, Pengyu Chen, Siyuan Dai","doi":"10.1002/smsc.202400297","DOIUrl":"https://doi.org/10.1002/smsc.202400297","url":null,"abstract":"<p><p>The mid-infrared with a characteristic wavelength of 3-20 μm is important for a wealth of technologies. In particular, mid-infrared spectroscopy can reveal material composition and structure information by fingerprinting chemical bonds' infrared resonances. Despite these merits, state-of-the-art mid-infrared techniques are spatially limited above tens of micrometers due to the fundamental diffraction law. Herein, recent progress in the scanning probe nanoscale infrared characterization of biochemical materials and natural specimens beyond this spatial limitation is reviewed. By leveraging the strong tip-sample local interactions, scanning probe nano-infrared methods probe nanoscale optical and mechanical responses to disclose material composition, heterogeneity, orientation, fine structure, and phase transitions at unprecedented length scales. These advances, therefore, revolutionize the understanding of a broad range of biochemical and natural materials and offer new material manipulation and engineering opportunities close to the ultimate length scales of fundamental physical, chemical, and biological processes.</p>","PeriodicalId":29791,"journal":{"name":"Small Science","volume":"4 11","pages":"2400297"},"PeriodicalIF":11.1,"publicationDate":"2024-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11935097/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144003610","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}
Small SciencePub Date : 2024-09-25eCollection Date: 2024-11-01DOI: 10.1002/smsc.202400153
Soumen Saha, Samagya Banskota, Parisa Yousefpour, Jeffrey L Schaal, Nikita Zakharov, Jianqiao Liu, Michael Dzuricky, Ziwei He, Stefan Roberts, Xinghai Li, Ashutosh Chilkoti
{"title":"Preclinical Development of a Genetically Engineered Albumin-Binding Nanoparticle of Paclitaxel.","authors":"Soumen Saha, Samagya Banskota, Parisa Yousefpour, Jeffrey L Schaal, Nikita Zakharov, Jianqiao Liu, Michael Dzuricky, Ziwei He, Stefan Roberts, Xinghai Li, Ashutosh Chilkoti","doi":"10.1002/smsc.202400153","DOIUrl":"https://doi.org/10.1002/smsc.202400153","url":null,"abstract":"<p><p>Nab-paclitaxel (Abraxane), an albumin-bound solvent-free paclitaxel (PTX) formulation that takes advantage of the endogenous albumin transport pathway, is the current gold standard for treatment of solid tumors with PTX. However, nab-paclitaxel has several limitations, including complex manufacturing, immunogenicity, slow drug-release, and a narrow therapeutic window. Nevertheless, no other PTX formulation has gained the Food and Drug Administration approval since Abraxane's 18-year reign. Addressing these concerns, herein, a PTX-loaded nanoparticle of a recombinant polypeptide that-like nab-paclitaxel-capitalizes on the long in vivo half-life of albumin is reported. This genetically engineered nanoparticle packages PTX in the core of the nanoparticle and displays an albumin-binding domain on the exterior of the nanoparticle. Upon in vivo administration, the drug-loaded nanoparticle binds albumin with nanomolar affinity, and acquires an albumin-corona, which eliminates the need to use exogenous albumin. The nanoparticles can be stored at subzero temperature as lyophilized powder without any cryoprotectants for upto a year and can be reconstituted on-demand in aqueous buffer at high concentration, thus greatly simplifying formulation processes. These albumin-binding nanoparticles improve the therapeutic window by at least twofold compared to nonalbumin-binding counterpart and outperform nab-paclitaxel in multiple murine tumor models, results that have been independently replicated by a contract research organization.</p>","PeriodicalId":29791,"journal":{"name":"Small Science","volume":"4 11","pages":"2400153"},"PeriodicalIF":11.1,"publicationDate":"2024-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11934972/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144062379","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}
Small SciencePub Date : 2024-09-23eCollection Date: 2024-11-01DOI: 10.1002/smsc.202400317
Jaydon A Meilak, Karma Zuraiqi, Valerie Mitchell, Bernt Johannessen, Brittany V Kerr, Pierre H A Vaillant, Krystina Lamb, Patjaree Aukarasereenont, Caiden Parker, Taren Cataldo, Francois Malherbe, Andrew J Christofferson, Torben Daeneke, Rosalie K Hocking
{"title":"An X-Ray Absorption Spectroscopy Investigation into the Fundamental Structure of Liquid Metal Alloys.","authors":"Jaydon A Meilak, Karma Zuraiqi, Valerie Mitchell, Bernt Johannessen, Brittany V Kerr, Pierre H A Vaillant, Krystina Lamb, Patjaree Aukarasereenont, Caiden Parker, Taren Cataldo, Francois Malherbe, Andrew J Christofferson, Torben Daeneke, Rosalie K Hocking","doi":"10.1002/smsc.202400317","DOIUrl":"https://doi.org/10.1002/smsc.202400317","url":null,"abstract":"<p><p>Gallium and gallium alloys have gained significant interest due to gallium's low melting point. This property allows for gallium-based catalysts to take advantage of the unique reaction environments only available in the liquid state. While understanding of the catalytic properties of liquid metals is emerging, a comprehensive investigation into the fundamental structures of these materials has yet to be undertaken. Herein, the structure of liquid gallium, along with related liquid alloys EGaIn, EGaSn, and Galinstan are explored using X-ray absorption spectroscopy (XAS). In contrast to some other studies that show dimers, analysis of the XAS data both in X-ray absorption near edge structure and extended X-ray absorption fine structure shows that when fully dissolved the materials are largely homogenous with no obvious signs of local structures. Ga shows a bond contraction when melted which is consistent with its increase in density; however, an expansion in bond length is observed when alloyed with In and Sn. XAS data indicate that the effective nuclear charge (<i>Z</i> <sub>eff</sub>) of In and Sn follows the trend expected based on electronegativity. Molecular dynamic (MD) simulations are performed to simulate the structure and trends between MD and XAS; the trends agree well but MD overestimates bond lengths.</p>","PeriodicalId":29791,"journal":{"name":"Small Science","volume":"4 11","pages":"2400317"},"PeriodicalIF":11.1,"publicationDate":"2024-09-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11935233/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144048163","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}