Article
Materials Science, Composites
Koodappuzha Parameswaran Surya, Rabindra Mukhopadhyay, Kinsuk Naskar, Anil Kumar Bhowmick
Summary: The specific geometry and distinct properties of one-dimensional nanostructures make them ideal reinforcing elements in composites. The physical, mechanical, thermal, and wear properties of polymer composites depend on the dimensionality, nature, and dispersion of the nanofillers. This study offers a detailed characterization of fibrous nanofillers and their impact on the properties of natural rubber nanocomposites.
POLYMER COMPOSITES
(2023)
Article
Chemistry, Physical
Tomitsugu Taguchi, Shunya Yamamoto, Hironori Ohba
Summary: The study successfully synthesized double-thick-walled (DTW) silicon carbide (SiC) nanotubes with unique structures and properties. Experimental results showed that DTW SiC nanotubes with perfect structures can only be synthesized with an MWCNT wall thickness of at least 50 nm.
APPLIED SURFACE SCIENCE
(2021)
Article
Chemistry, Physical
Fabien Bouzat, Romain Lucas, Yann Leconte, Sylvie Foucaud, Yves Champavier, Cristina Coelho Diogo, Florence Babonneau
Summary: This study investigated the impact of Zr on the fabrication of ZrC-SiC composites by synthesizing specific polymeric structures and proposing a four-step mechanism, analyzing the role of Zr in the thermal path.
Article
Chemistry, Physical
Jinsong Li, Jing Ao, Chongxia Zhong, Risibo Zhao
Summary: In this study, TiC nanotube-interconnected branch (NTIB) electrodes were synthesized and exhibited high specific capacitance at high rates, with good cycle stability. The symmetric supercapacitor composed of TiC NTIB electrodes showed promising energy density and power density, along with excellent cycle stability over 15,000 cycles.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Materials Science, Composites
Xianwu Cao, Chunnong Li, Yizhang Tong, Guangjian He, Dali Gao, Yue Ru, Zhitao Yang
Summary: In this study, composite silicone rubber with enhanced thermal stability and conductivity was prepared by modifying silicone rubber with mixed fillers. The composite material showed improved thermal conductivity, hydrophobicity, and electrical insulation, making it a promising candidate for thermal interface materials (TIM).
POLYMER COMPOSITES
(2022)
Article
Physics, Applied
Rita Maji, Eleonora Luppi, Elena Degoli
Summary: The interfacial structure of a silicon grain boundary (Si-GB) has a significant impact on its chemical functionalization and various physical-chemical properties of the material. This study provides an atomistic understanding of the role of the GB interface and its importance in high performance technological applications. The influence of different sigma 3{1121 Si-GB models on the structural reconstruction and properties of the GB interface has been investigated, along with the impact of vacancies and light impurities. The behavior of (1 x 1) and (1 x 2) models is significantly different under the influence of vacancies and the segregation of impurities.
JOURNAL OF APPLIED PHYSICS
(2022)
Article
Materials Science, Multidisciplinary
Antoine Jay, Olivier Hardouin Duparc, Jelena Sjakste, Nathalie Vast
Summary: The Raman spectrum of boron carbide under pressure is explained by the vibrations of (B11C) icosahedra and C-B-C chains, while the behavior of a broad Raman band at low frequency is attributed to the activation of the chain bending mode in flexured chains. The 270 cm-1 ambient-P mode is proposed as a fingerprint for identifying chain defects and deviations from rhombohedral symmetry in boron carbide.
Article
Materials Science, Multidisciplinary
A. Csore, N. T. Son, A. Gali
Summary: The study identifies the potentially quantum technology applicable V-Si(-) defect and related centers in silicon carbide, yet the exact sources of some signals remain unclear, prompting the proposal of V-1-related pair defect models. By density functional theory calculations, the electronic structures and magneto-optical properties of these centers are determined, and their optical signals are predicted for future experimental identification.
Article
Chemistry, Physical
Ram Sevak Singh
Summary: Carbon dioxide (CO2) emission from industries is a major global issue that harms the environment and human health. Developing materials for efficient CO2 capture is essential, and silicon carbide nanotubes (SiCNTs) show great potential. This study investigates the CO2 capture behavior of metal-decorated SiCNTs, demonstrating that Cu-decorated SiCNTs undergo spontaneous exothermic reaction, while reactions on Pd and Ti-decorated SiCNTs are endothermic. The findings highlight the potential of metal-decorated SiCNTs for efficient CO2 capture technology.
Article
Chemistry, Physical
Byeong-Hun Woo, Dong-Ho Yoo, Seong-Soo Kim, Jeong-Bae Lee, Jae-Suk Ryou, Hong-Gi Kim
Summary: In this study, silicon carbide, steel fiber, and graphite were used to enhance the thermal conductivity of concrete. Steel fiber compensated for the negative effects of graphite and improved thermal durability, while silicon carbide helped to enhance thermal durability in the same way as steel fiber. The study concluded that using 50% silicon carbide was the most effective approach, and caution should be taken when considering the content of graphite or other conductive materials in further studies.
Article
Multidisciplinary Sciences
Feihong Chu, Xianlin Qu, Yongcai He, Wenling Li, Xiaoqing Chen, Zilong Zheng, Miao Yang, Xiaoning Ru, Fuguo Peng, Minghao Qu, Kun Zheng, Xixiang Xu, Hui Yan, Yongzhe Zhang
Summary: The authors design a hybrid interface by tuning the pyramid apex-angle to improve the interfacial morphology of c-Si/a-Si:H in silicon solar cells. This hybrid interface prevents both c-Si epitaxial growth and nanotwin formation, leading to improved interfacial morphology. This method can be widely applied to all silicon-based solar cells without any additional industrial preparation processes.
NATURE COMMUNICATIONS
(2023)
Article
Materials Science, Ceramics
Milad Bahamirian, Fardin Alipour, Raouf Behjat Golenji, Leila Nikzad, Mohammad Hasan Barounian, Mansour Razavi
Summary: The study investigated microstructural and mechanical properties of SiC-B4C-10Ni and SiC-B4C-10Ni-5CNT composites fabricated via reactive SPS. Results showed that the addition of CNTs in SiC-B4C-10Ni composite led to higher fracture toughness.
CERAMICS INTERNATIONAL
(2021)
Article
Materials Science, Ceramics
Xiaoyang Ji, Zhe Cheng, Ella K. Pek, David G. Cahill
Summary: In this study, the thermal conductance of the oxide layer and the thermal conductivity of SiC/SiC composites were mapped with high spatial resolution using time-domain thermoreflectance (TDTR). It was found that the dominant source of noise in the measurements was the input noise of the preamplifier under low laser powers or small integration time constants. The thermal conductance of the oxide on the fiber region was lower than that on the matrix due to slight differences in thickness and thermal conductivity.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2021)
Article
Multidisciplinary Sciences
Jeeno Jose, Alon Zamir, Tamar Stein
Summary: The study uses quantum chemistry and ab initio molecular dynamics to model ionization processes of clusters containing cyanoacetylene and acetylene molecules, demonstrating that ionization of clusters leads to molecular formation. The research reveals the rich chemistry observed during ionization processes, providing insights for astronomers in search of aromatic molecules in the interstellar medium.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2021)
Article
Materials Science, Multidisciplinary
Hojat Allah Badehian, Khadijeh Gharbavi
Summary: In this study, molecular dynamics simulations were used to calculate the phonon and thermoelectric properties of pure and hydrogen-passivated silicon carbide nanotubes. It was found that armchair tubes are semiconductors, while the direct bandgap of zigzag tubes depends on the tube diameter. Furthermore, hydrogen-passivated SiCNTs were found to be thermally conductive electrical insulators, with higher thermal conductance compared to 2D silicon carbide. The asymmetrical structure of SiCNTs (7, 7) resulted in exceptional thermoelectric coefficients, and all simulated SiCNTs were found to be p-type semiconductors.
Article
Nanoscience & Nanotechnology
Dirk Konig, Michael Frentzen, Noel Wilck, Birger Berghoff, Igor Pis, Silvia Nappini, Federica Bondino, Merlin Muller, Sara Gonzalez, Giovanni Di Santo, Luca Petaccia, Joachim Mayer, Sean Smith, Joachim Knoch
Summary: The study shows that impurity doping in silicon nanowells can be adjusted by nanoscale electronic structure shifts induced by anions at surfaces (NESSIAS), enhancing electron conductivity. This finding deviates from traditional understanding, but is validated through comparison with experimental data and theoretical calculations, showing that other group IV semiconductors also respond similarly to the effect. Adequate nanowire cross-sections can be predicted through crystallographic analysis, laying the foundation for the development of undoped ultrasmall silicon electronic devices with significantly reduced gate lengths.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
Chemistry, Physical
I Carlomagno, I Lucarini, V Secchi, F. Maita, D. Polese, S. Mirabella, G. Franzo, A. Notargiacomo, G. Di Santo, S. Gonzalez, L. Petaccia, L. Maiolo
Summary: ZnO nanorods can be enhanced in their optical and conductive performances through Excimer Laser Annealing (ELA), which results in reducing crystallite size and lattice parameter, improving UV/visible emission ratio, and increasing carrier mobility.
APPLIED SURFACE SCIENCE
(2022)
Correction
Chemistry, Multidisciplinary
Pin-Cheng Lin, Renan Villarreal, Simona Achilli, Harsh Bana, Maya N. Nair, Antonio Tejeda, Ken Verguts, Stefan De Gendt, Manuel Auge, Hans Hofsass, Steven De Feyter, Giovanni Di Santo, Luca Petaccia, Steven Brems, Guido Fratesi, Lino M. C. Pereira
Article
Physics, Multidisciplinary
Arindam Pramanik, Sangeeta Thakur, Bahadur Singh, Philip Willke, Martin Wenderoth, Hans Hofsaess, Giovanni Di Santo, Luca Petaccia, Kalobaran Maiti
Summary: This study investigates the properties of Dirac states in SiC-graphene and its hole-doped compositions using experimental and theoretical methods. The results show that the Dirac bands exhibit linear dispersion behavior across the Dirac point, even after boron substitution. The internal symmetries of SiC-graphene are preserved despite significant boron substitutions. These findings suggest that SiC-graphene has the potential to manipulate carrier properties and protect Dirac fermionic properties.
PHYSICAL REVIEW LETTERS
(2022)
Article
Chemistry, Physical
Pin-Cheng Lin, Renan Villarreal, Harsh Bana, Zviadi Zarkua, Vince Hendriks, Hung-Chieh Tsai, Manuel Auge, Felix Junge, Hans Hofsaess, Ezequiel Tosi, Paolo Lacovig, Silvano Lizzit, Wenjuan Zhao, Giovanni Di Santo, Luca Petaccia, Steven De Feyter, Stefan De Gendt, Steven Brems, Lino M. C. Pereira
Summary: This study investigates the effects of ultralow-energy ion implantation on graphene, particularly on defect creation and surface contamination, and how they can be minimized through thermal annealing. The research reveals that graphene can be significantly cleaned at relatively low annealing temperatures, but correcting the implantation-induced disorder requires higher annealing temperatures. Furthermore, during high-temperature annealing, the implanted atoms diffuse into the underlying Cu layer, forming a subsurface alloy.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Chemistry, Physical
Matteo Jugovac, Edward Danquah Donkor, Paolo Moras, Iulia Cojocariu, Francesca Genuzio, Giovanni Zamborlini, Giovanni Di Santo, Luca Petaccia, Natasa Stojic, Vitaliy Feyer, Claus Michael Schneider, Andrea Locatelli, Tevfik Onur Mentes
Summary: The strong interaction between graphene and ferromagnetic transition metals results in significant changes in the electronic states of graphene. A weakly-dispersing single-spin conical band feature is found in the graphene/Co interface, which is also present in rotated graphene domains on Co. The similarity in electronic properties between different graphene orientations is crucial for understanding the magnetic properties of graphene/Co interfaces.
Article
Chemistry, Physical
Gaetana Petrone, Francesca Zarotti, Paolo Lacovig, Daniel Lizzit, Ezequiel Tosi, Roberto Felici, Silvano Lizzit, Rosanna Larciprete
Summary: It is found that graphene coating on nickel foams can enhance hydrogen adsorption and stabilize storage. The presence of graphene layer does not reduce hydrogen adsorption efficiency, but it does not significantly increase the amount of stored hydrogen either.
Article
Chemistry, Multidisciplinary
Jiuxiang Zhang, Thibault Daniel Pierre Sohier, Michele Casula, Zhesheng Chen, Jonathan Caillaux, Evangelos Papalazarou, Luca Perfetti, Luca Petaccia, Azzedine Bendounan, Amina Taleb-Ibrahimi, David Santos-Cottin, Yannick Klein, Andrea Gauzzi, Marino Marsi
Summary: In the Dirac semimetal BaNiS2, the Dirac nodes can be moved along the Gamma-M symmetry line in reciprocal space by varying the concentration of adsorbed K atoms. This peculiar feature offers a promising tool for engineering Dirac states at surfaces, interfaces, and heterostructures, as demonstrated by first-principles calculations considering the effect of charge transfer gap.
Article
Physics, Multidisciplinary
Artem G. Rybkin, Artem V. Tarasov, Anna A. Rybkina, Dmitry Yu. Usachov, Anatoly E. Petukhov, Alexander V. Eryzhenkov, Dmitrii A. Pudikov, Alevtina A. Gogina, Ilya I. Klimovskikh, Giovanni Di Santo, Luca Petaccia, Andrei Varykhalov, Alexander M. Shikin
Summary: This study investigates the magnetization of graphene by coupling it to a ferromagnetic Co film through a Au monolayer. The existence of dislocation loops under graphene induces ferrimagnetic ordering of moments in the two C sublattices. The findings support the interplay between Rashba and exchange couplings through spin-ARPES measurements and DFT calculations, revealing the potential of the synthesized system for realizing a circular dichroism Hall effect.
PHYSICAL REVIEW LETTERS
(2022)
Article
Materials Science, Multidisciplinary
S. Eremeev, O. De Luca, P. M. Sheverdyaeva, L. Ferrari, A. Matetskiy, G. Di Santo, L. Petaccia, C. Crovara, T. Caruso, M. Papagno, R. G. Agostino, Z. S. Aliev, P. Moras, C. Carbone, E. Chulkov, D. Pacile
Summary: Topological insulators with the Fermi level on the Dirac surface state are actively studied. In this study, we investigate the electronic structure of SnBi2Te4 crystal using angle-resolved photoemission spectroscopy and first-principles calculations. Our results show that away from the Brillouin zone center, bulk bands energetically overlap with the Dirac cone at the Fermi level, leading to unwanted contributions to the material's transport properties. Comparisons between experimental and simulated band structures considering defects provide insights on the limitations in the description of the material.
PHYSICAL REVIEW MATERIALS
(2023)
Article
Chemistry, Physical
Giuseppe Mattioli, Giorgio Contini, Fabio Ronci, Roberto Flammini, Federico Frezza, Rosanna Larciprete, Venanzio Raglione, Paola Alippi, Francesco Filippone, Aldo Amore Bonapasta, Gloria Zanotti, Bertrand Kierren, Luc Moreau, Thomas Pierron, Yannick Fagot-Revurat, Stefano Colonna
Summary: In this study, we investigate the interface between (RuPc)2 and the Ag(001) surface. Two different commensurable arrangements of the molecules are observed at different coverage densities on the substrate. The focus of the study is on the evolution of interface states with molecular density and the charge distribution in the thin interfacial layer between molecules and substrate. The results reveal different valence band structures and charge modulations for the two molecular arrangements, making (RuPc)2/Ag(001) an interesting case of intermediate interaction between physisorption and chemisorption.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Physical
Monica Pozzo, Tommaso Turrini, Luca Bignardi, Paolo Lacovig, Daniel Lizzit, Ezequiel Tosi, Silvano Lizzit, Alessandro Baraldi, Dario Alfe, Rosanna Larciprete
Summary: By combining high-resolution X-ray photoelectron spectroscopy, thermal programmed desorption, and density functional theory calculations, we found that hydrogen chemisorption on graphene is temperature-independent between 150 and 320 K, while H intercalation below graphene is limited by an energy barrier of about 150 meV. Moreover, the graphene cover can significantly enhance hydrogen storage in the interface with the bare Ni(111) substrate, especially in heavily hydrogenated samples.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Materials Science, Multidisciplinary
Tanusree Saha, Luca Petaccia, Barbara Ressel, Primoz Rebernik Ribic, Giovanni Di Santo, Wenjuan Zhao, Giovanni De Ninno
Summary: We conducted an angle-resolved photoemission study on the electronic band structure of the excitonic insulator Ta2NiSe5 and its evolution under sulfur doping. Our experimental data showed that the excitonic insulating phase remained at a sulfur doping level of 25%, but was heavily suppressed when the doping reached around 50% at liquid nitrogen temperatures. Additionally, our photon energy-dependent measurements revealed a clear three-dimensionality of the electronic structure in both Ta2NiSe5 and Ta2Ni(Se1-xSx)(5) (x = 0.25, 0.50) compounds, indicating a reduction in electrical and thermal conductivities, which may make these compounds less suitable for electronic transport applications.
Article
Materials Science, Multidisciplinary
Matteo Jugovac, Cesare Tresca, Iulia Cojocariu, Giovanni Di Santo, Wenjuan Zhao, Luca Petaccia, Paolo Moras, Gianni Profeta, Federico Bisti
Summary: Graphene band renormalization near the van Hove singularity was investigated using angle-resolved photoemission spectroscopy on Li-doped quasifreestanding graphene on a cobalt surface. The absence of graphene band hybridization with the substrate, rigid energy shift representation of the doping contribution, and excellent electron-electron interaction screening on the metallic substrate provided a privileged perspective for this investigation. A clear ARPES signal was detected along the KMK direction of the graphene Brillouin zone, leading to an apparent flattened band. Simulations of the graphene spectral function demonstrated that the photoemission signal around the M point originated from the "tail" of the spectral function of the unoccupied band above the Fermi level. This interpretation suggests the absence of any additional strong correlation effects near the van Hove singularity, reconciling the mean-field description of the graphene band structure even in a highly doped scenario.
Article
Materials Science, Multidisciplinary
P. M. Sheverdyaeva, F. Offi, S. Gardonio, L. Novinec, M. Trioni, D. Ceresoli, S. Iacobucci, A. Ruocco, G. Stefani, L. Petaccia, S. Gorovikov, E. Cappelluti, P. Moras, G. Bihlmayer, S. Blugel, C. Carbone
Summary: The study reveals the existence of Dirac nodal lines with pi Berry phase and related topological surface states in hexagonal close-packed Yb, an element of the lanthanide series, in the absence of spin-orbit coupling. These topological properties emerge after taking into account self-energy corrections, allowing for the correct description of the experimental low-energy electronic structure of Yb. The research also demonstrates the presence of robust topological surface states in Yb even in the presence of large spin-orbit coupling.