Article
Materials Science, Multidisciplinary
Shangshu Wu, Zongde Kou, Junjie Wang, Mengyang Yan, Shu Fu, Si Lan, Qingquan Lai, Tao Feng
Summary: The omega single-phase nanocrystalline Ti-Fe alloy was prepared for the first time using the laser-inert gas condensation method. By annealing at different temperatures, both omega + alpha dual-phase and alpha single-phase structures were achieved. This study pushed the limit of omega-phase content to 100% in NC Ti alloy and provided scientific insights into tailoring phases from an omega single-phase structure.
MATERIALS CHARACTERIZATION
(2021)
Article
Chemistry, Multidisciplinary
Zhiwei Li, Jian Zhang, Jianbo Jin, Fan Yang, Rashed Aleisa, Yadong Yin
Summary: This study demonstrates the creation of surface concavity in Au nanorods through seed-mediated growth in confined spaces and their thermochromic responses to temperature changes. By templating against Fe3O4 nanorods, a unique surface concavity is created, allowing precise tuning of the nanorods' plasmonic properties through aging in different solvents.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2021)
Article
Chemistry, Multidisciplinary
Yizhi Zhang, Di Zhang, Juncheng Liu, Ping Lu, Julia Deitz, Jianan Shen, Zihao He, Xinghang Zhang, Haiyan Wang
Summary: Oxide-metal hybrid materials have attracted research interest for their multifunctionality, property coupling, and tunability. In this study, self-assembled HfO2-Au nanocomposites with ultra-fine Au nanopillars vertically aligned in a HfO2 matrix were fabricated. The addition of an ultra-thin TiN-Au buffer layer improved the film crystallinity and pillar uniformity. The hybrid VAN films exhibited an obvious plasmonic resonance at a lower wavelength than typical Au nanostructures and showed potential for future integrated optical and electronic switching devices.
Article
Materials Science, Multidisciplinary
Lina Mikoliunaite, Evaldas Stankevicius, Sonata Adomaviciute-Grabusove, Vita Petrikaite, Romualdas Trusovas, Martynas Talaikis, Martynas Skapas, Agne Zdaniauskiene, Algirdas Selskis, Valdas Sablinskas, Gediminas Niaura
Summary: In this study, magneto-plasmonic nanoparticles were fabricated using laser technology and their properties were characterized. The hybrid nanoparticles were successfully applied in surface-enhanced Raman spectroscopy through magnetic alignment. Raman spectroscopy results confirmed the presence of magnetite in the nanoparticles and resonantly enhanced carbon-based bands were detected. The difference in SERS spectra of adsorbed biomolecules on different materials was explained based on experimental analysis and theoretical modeling.
Article
Chemistry, Multidisciplinary
Bethany X. Rutherford, Hongyi Dou, Bruce Zhang, Zihao He, James P. Barnard, Robynne L. Paldi, Haiyan Wang
Summary: Nanocomposite thin film materials processed through non-equilibrium methods exhibit unique metastable phases and microstructures, leading to novel physical properties. In this study, the phase and morphology of Au and Fe nanoparticles in a BaTiO3 matrix were successfully controlled by adjusting the deposition laser frequency, allowing for the tuning of magnetic and optical properties. This work demonstrates the stabilization of non-equilibrium alloy structures in the VAN form and provides a potential avenue for exploring new non-equilibrium materials systems and their properties.
Article
Chemistry, Multidisciplinary
Maria Efremova, Marina Spasova, Markus Heidelmann, Ivan S. Grebennikov, Zi-An Li, Anastasiia S. Garanina, Iana O. Tcareva, Alexander G. Savchenko, Michael Farle, Natalia L. Klyachko, Alexander G. Majouga, Ulf Wiedwald
Summary: Solid solution AuFe nanoparticles were synthesized for the first time under ambient conditions by an adapted method, which can be transformed into Janus Au/Fe particles upon annealing. This preparation route provides new perspective materials for magnetoplasmonics and biomedical applications.
Article
Chemistry, Physical
Sudipta Paul, Debolina Chakraborty, Sumaiya Jannat Esha, Mohammad Nasim Hasan
Summary: This study investigates the effect of relative philic-phobic strength on nanoscale condensation over hybrid wetting surfaces with varying philic-phobic contents. The results indicate that combining strong hydrophilic regions with weak hydrophobic regions improves the performance of the hybrid wetting surface.
SURFACES AND INTERFACES
(2023)
Article
Thermodynamics
Duo Zhang, Xuexue Liu, Hu Wen, Shoushi Zhang, Hongquan Wang, Yi Sun, Hao Feng
Summary: In this study, an antifire technology of dry ice made from compound inert gas was proposed to mitigate mine fire hazards. The effect of different nucleating agents and their mass on the preparation and firefighting performance of dry ice was investigated. The results demonstrated that adding a nucleating agent could improve the quality of dry ice produced, with calcium chloride being the most effective nucleating agent.
Article
Chemistry, Physical
David Feldmann, Bat-El Pinchasik
Summary: The study found that biphilic surfaces can be used for controlled dropwise condensation and liquid transport. The surface temperature and subcooling greatly affect their performance. Compared to uniform superhydrophobic surfaces, biphilic surfaces have faster condensation dynamics, but most droplets remain immobile within a few hours. This provides guidance for applications such as water collection, heat transfer, and separation processes.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2023)
Article
Chemistry, Physical
Sagar Ganguli, Alina Sekretareva
Summary: Direct loading of plasmonic nanostructures onto catalytically inert conductive support materials leads to a Schottky barrier-free architecture. In this study, the effect of the supporting electrode material on the observed photoinduced enhancement was systematically investigated. It was found that local heating due to light absorption by the electrode material itself is the primary source of the significant photoinduced enhancement, and increased interfacial charge transfer at elevated temperatures is the main source of the thermal enhancement.
Article
Nanoscience & Nanotechnology
Naomi Sakono, Yuto Ishida, Kazuki Ogo, Nobuko Tsumori, Haruno Murayama, Masafumi Sakono
Summary: In this study, Ag-Au nanoparticles with an alloy-type nanocrystalline structure were successfully synthesized using a dual evaporation-condensation method. By adjusting the heating temperature, the molar fraction of Ag atoms in the synthesized particles could be varied from 0% to 80%. Energy-dispersive X-ray spectroscopy data confirmed the presence of both Ag and Au elements in all particles, forming an alloy structure. The nanoparticles generated in the gas phase were immobilized on a substrate and demonstrated effective CO oxidation catalytic activity.
ACS APPLIED NANO MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Austin J. Richard, Michael Ferguson, Blaine G. Fiss, Hatem M. Titi, Jesus Valdez, Nikolas Provatas, Tomislav Friscic, Audrey Moores
Summary: Mechanochemistry has proven to be a successful approach for sustainable chemical transformations, including the synthesis of gold nanoparticles. However, the processes involved in the solid-state reduction of gold salts and the formation of nanoparticles are not well understood. This study presents a mechanically activated aging synthesis of gold nanoparticles using a solid-state Turkevich reaction. The reaction is monitored over a six-week period at different temperatures, allowing for in situ analysis of both reduction and nanoparticle formation processes. Through various spectroscopic and microscopic techniques, valuable insights into the mechanisms of solid-state formation of gold nanoparticles are obtained, leading to the establishment of the first kinetic model for this process.
NANOSCALE ADVANCES
(2023)
Article
Multidisciplinary Sciences
Igor Altman, Elena Fomenko, Igor E. Agranovski
Summary: This paper investigates the gas-phase formation of nanoparticles and its impact on condensed matter in the Universe. The study reveals the significant influence of an external ionizer on the stagnation of condensation growth, with the nanoparticle charge playing a crucial role in the stagnation state.
SCIENTIFIC REPORTS
(2022)
Article
Materials Science, Multidisciplinary
Jiahao Hu, Tao Zhang, Ying Chen, Pengcheng Xu, Dan Zheng, Xinxin Li
Summary: ZnMn2O4 nanotubes have been synthesized and utilized for CO2 detection, showing good sensing response to CO2 gas and great application potentials.
JOURNAL OF MATERIALS CHEMISTRY C
(2022)
Article
Materials Science, Multidisciplinary
Saja Al Khabouri, Salim Al Harthi, Toru Maekawa, Mohamed E. Elzain, Htet Htet Kyaw, Myo Tay Zar Myint, Karthik Laxman
Summary: Ternary Ni-Co-Cr nanoclusters were synthesized using a one-step method, with surface analysis revealing strong magnetic properties below the blocking temperature and potential for applications requiring strong magnetic anisotropy. The growth mechanism and composition of these nanoclusters contribute to their enhanced magnetic behavior.
MATERIALS CHEMISTRY AND PHYSICS
(2021)
Editorial Material
Chemistry, Physical
Christine Aikens, Damien Alloyeau, Hakim Amara, Vincenzo Amendola, Catherine Amiens, Pascale Andreazza, Francesca Baletto, Stephan Barcikowski, Michael Bowker, Florent Calvo, Fuyi Chen, Emmanuel Cottancin, Wolfgang E. Ernst, Riccardo Farris, Riccardo Ferrando, Georg Daniel Forster, Alessandro Fortunelli, Alexis Front, Didier Grandjean, Hazar Guesmi, Graham J. Hutchings, Ewald Janssens, Miguel Jose Yacaman, Christian Kuttner, Eric Marceau, Marcelo M. Mariscal, Jette K. Mathiesen, John McGrady, Trang Nguyen, Pinkie Ntola, Cameron J. Owen, Charlie Paris, Micha Polak, Rasmus Svensson, Swathi Swaminathan, Mona Treguer-Delapierre, Jonathan Quinson, Yufei Zhang
FARADAY DISCUSSIONS
(2023)
Article
Chemistry, Physical
Abir Hizi, Georg Daniel Forster, Riccardo Ferrando, Yves Garreau, Alessandro Coati, Caroline Andreazza-Vignolle, Pascal Andreazza
Summary: The Ag/Co nanoalloy system is energetically located at the limit of stability of the core-shell chemical ordering and phase separation behavior, making it highly susceptible to environmental effects. By carefully controlling atom-by-atom particle growth, out-of-equilibrium configurations can be locked in. Through experimental and molecular dynamics studies, we investigate the extent to which out-of-equilibrium structures are due to kinetic effects and the influence of particle-substrate interaction. Both experimental and simulation results demonstrate the significant impact of the substrate on particle morphology and structure.
FARADAY DISCUSSIONS
(2023)
Editorial Material
Chemistry, Physical
Damien Alloyeau, Vincenzo Amendola, Catherine Amiens, Pascal Andreazza, Joost M. Bakker, Francesca Baletto, Stephan Barcikowski, Noelia Barrabes, Michael Bowker, Fuyi Chen, Emmanuel Cottancin, Wolfgang E. Ernst, Riccardo Ferrando, Georg Daniel Forster, Alessandro Fortunelli, Didier Grandjean, Hazar Guesmi, Graham J. Hutchings, Ewald Janssens, Miguel Jose Yacaman, Christian Kuttner, Lebohang Macheli, Eric Marceau, Marcelo M. Mariscal, Jette K. Mathiesen, John McGrady, Christine Mottet, Diana Nelli, Pinkie Ntola, Cameron J. Owen, Micha Polak, Jonathan Quinson, Cesare Roncaglia, Leonid Rubinovich, Rolf Schafer, Manoj Settem, Jeff Shield, Mzamo Shozi, Swathi Swaminathan, Stefan Vajda, Hans-Christian Weissker
FARADAY DISCUSSIONS
(2023)
Editorial Material
Chemistry, Physical
Christine M. Aikens, Damien Alloyeau, Vincenzo Amendola, Catherine Amiens, Pascal Andreazza, Joost M. Bakker, Francesca Baletto, Stephan Barcikowski, Noelia Barrabes, Michael Bowker, Fuyi Chen, Isaac T. Daniel, Wolfgang E. Ernst, Riccardo Ferrando, Piero Ferrari, Alessandro Fortunelli, Didier Grandjean, Hazar Guesmi, Graham J. Hutchings, Ewald Janssens, Robert M. Jones, Miguel Jose Yacaman, Christian Kuttner, Maria J. Lopez, Eric Marceau, Marcelo M. Mariscal, John McGrady, Christine Mottet, Jaysen Nelayah, Cameron J. Owen, Micha Polak, Jonathan Quinson, Cesare Roncaglia, Rolf Schafer, Rasmus Svensson, Mona Treguer-Delapierre, Yufei Zhang
FARADAY DISCUSSIONS
(2023)
Article
Chemistry, Physical
Diana Nelli, Christine Mottet, Riccardo Ferrando
Summary: In this work, the evolution of AgAu, PtPd, and AuCu bimetallic systems towards equilibrium from non-equilibrium configurations was studied by molecular dynamics simulations. It was found that AuCu forms ordered phases at low temperature, while AgAu and PtPd remain in solid solution, with Pt being more cohesive than Pd.
FARADAY DISCUSSIONS
(2023)
Article
Chemistry, Medicinal
Cesare Roncaglia, Riccardo Ferrando
Summary: We propose a scheme for the automatic clustering of data sets composed of different nanoparticle structures using Machine Learning techniques. By combining a description of NPs based on their atomic environment with unsupervised learning algorithms, we are able to distinguish between different structural motifs. This method improves upon previous results by implementing a more detailed description of NPs, particularly for systems with diverse structures including disorder.
JOURNAL OF CHEMICAL INFORMATION AND MODELING
(2023)
Article
Physics, Applied
Xin Jin, Flyura Djurabekova, Miguel Sequeira, Katharina Lorenz, Kai Nordlund
Summary: In this study, we used a simulation approach to investigate the dechanneling induced by voids with different shapes in tungsten. We found that the dechanneling cross section of large voids can be described by the product of the minimum yield and the area projected from the void to the target surface, as suggested by analytical models. However, this method overestimates the dechanneling induced by small voids, and there are significant differences between voids and stacking faults in terms of dechanneling.
JOURNAL OF PHYSICS D-APPLIED PHYSICS
(2023)
Article
Chemistry, Multidisciplinary
Jerome Vernieres, Nathalie Tarrat, Sean Lethbridge, Erica Watchorn-Rokutan, Thomas Slater, David Loffreda, Richard E. Palmer
Summary: The atomic structures of silver nanoparticles differ under air exposure and vacuum, with the icosahedron structure predominant in the former. This deviation is attributed to the formation of surface oxide or sulphide species resulting from air exposure. Understanding the effects of ambient exposure on the atomic structure of nanoparticles is crucial for their real-world performance and applications.
COMMUNICATIONS CHEMISTRY
(2023)
Review
Materials Science, Multidisciplinary
G. Velisa, F. Granberg, E. Levo, Y. Zhou, Z. Fan, H. Bei, F. Tuomisto, K. Nordlund, F. Djurabekova, W. J. Weber, Y. Zhang
Summary: Systematic temperature-effects investigations on damage evolution in ion-irradiated Ni-based concentrated solid-solution alloys are crucial for ensuring their reliability in nuclear applications. By comparing experimental and theoretical data on equiatomic NiFe, NiCoCr, and NiCoFeCr alloys, as well as new ion channeling results on ion-irradiated NiCoFeCr at 500 K, we suggest that the lower migration energy of vacancies in NiCoCr is the reason why it is no longer outperforming NiFe under ion irradiation above 300 K, as supported by independent theoretical calculations and TEM results from the literature.
JOURNAL OF MATERIALS RESEARCH
(2023)
Article
Materials Science, Multidisciplinary
Mikko Koskenniemi, Jesper Byggmastar, Kai Nordlund, Flyura Djurabekova
Summary: In this study, a faster version of the Gaussian approximation potential (GAP), known as tabulated GAP (tabGAP), is validated by modeling primary radiation damage in 50-50 W-Mo alloys and pure W using classical molecular dynamics. The results show that W-Mo exhibits similar surviving defect numbers as pure W, but with more efficient recombination of defects. TabGAP is found to be two orders of magnitude faster than GAP while producing comparable defect numbers and cluster sizes, albeit with a small difference in the fraction of bound interstitials.
JOURNAL OF NUCLEAR MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Dan Wang, Andreas Kyritsakis, Anton Saressalo, Lijun Wang, Flyura Djurabekova
Summary: This study investigates the factors affecting vacuum breakdown through experimental and numerical simulation methods. The experimental results show that increasing circuit impedance can enhance the breakdown voltage. The numerical simulations confirm that circuit impedance and the critical power loaded to the gap are crucial for determining the breakdown voltage, which is consistent with the experimental findings.
Article
Multidisciplinary Sciences
Aleksi A. Leino, Ville E. Jantunen, Pablo Mota-Santiago, Patrick Kluth, Flyura Djurabekova
Summary: Swift heavy ion irradiation can modify the shape of embedded nanoparticles. Atomistic simulations are used to study the elongation mechanism of gold nanoparticles. Adhesion with the oxide allows the nanoparticles to grow in aspect ratio even after silicon dioxide solidifies. The simulations provide the mechanism for continuous elongation observed in experiments. Experimental transmission electron microscopy micrographs support the simulations, demonstrating the potential of ion beam technology for shaping embedded nanostructures.
SCIENTIFIC REPORTS
(2023)
Article
Materials Science, Multidisciplinary
Alvaro Lopez-Cazalilla, Kai Nordlund, Flyura Djurabekova
Summary: The off-normal ion irradiation of semiconductor materials can result in nanopatterning effects. Different theories are proposed to explain the self-reorganization mechanisms of amorphizable surfaces. One hypothesis suggests that nanopatterning is associated with changes in sputtering characteristics due to surface morphology changes. Molecular dynamics simulations are conducted to investigate the formation of ripples in different regimes, providing atom-level insights on the atomic dynamics and organization.
PHYSICAL REVIEW MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Rafal Abram, Dariusz Chrobak, Jesper Byggmastar, Kai Nordlund, Roman Nowak
Summary: Despite the remarkable developments in advanced materials, silicon remains one of the leading semiconductors today. Its nanomechanical behavior, including phase transformation, amorphization, and dislocation generation, is of enduring significance in science and technology. This paper examines the effectiveness of combining two well-known potentials, Tersoff and Stillinger-Weber, in simulating the complex behavior of silicon during nanoscale deformation. The results suggest that our model successfully replicates experimentally observed structural changes and offers new insights into the capabilities of existing computational models.
Article
Materials Science, Multidisciplinary
Guanying Wei, Jesper Byggmastar, Junzhi Cui, Kai Nordlund, Jingli Ren, Flyura Djurabekova
Summary: This study investigates the effect of lattice parameter difference and mass difference on primary radiation damage in W-Ta and W-Mo alloys through atomistic simulations. The results show that the available interatomic potential and Gaussian approximation potential yield different predictions, but the trend of alloy composition on surviving defects is similar in W-Mo alloys, while it differs significantly in W-Ta alloys.
JOURNAL OF NUCLEAR MATERIALS
(2023)