Understanding the nature of "superhard graphite".
Ontology highlight
ABSTRACT:
SUBMITTER: Boulfelfel SE
PROVIDER: S-EPMC3384968 | biostudies-literature |
REPOSITORIES: biostudies-literature
Similar Datasets
Project description:To comprehensively investigate the adsorption geometries of organometallic molecules on graphene, Cp*Ru+ fragments as an organometallic molecule is bound on highly oriented pyrolytic graphite and imaged at atomic resolution using scanning tunneling microscopy (STM) (Cp* = pentamethylcyclopentadienyl). Atomic resolution imaging through STM shows that the Cp*Ru+ fragments are localized above the hollow position of the hexagonal structure, and that the first graphene layer adsorbed with the fragments on the graphite redeveloped morphologically to minimize its geometric energy. For a better understanding of the adsorption site and molecular geometry, experimental results are compared with computed calculations for the graphene surface with Cp*Ru+ fragments. These calculations show the adsorption geometries of the fragment on the graphene surface and the relationship between the geometric energy and molecular configuration. Our results provide the chemical anchoring geometry of molecules on the graphene surface, thereby imparting the theoretical background necessary for controlling the various properties of graphene in the future.
| S-EPMC8446079 | biostudies-literature
Project description:Over the history of carbon, it is generally acknowledged that Bernal AB stacking of the sp2 carbon layers is the unique crystalline form of graphite. The universal graphite structure is synthesized at 2,600~3,000?°C and exhibits a micro-polycrystalline feature. In this paper, we provide evidence for a metastable form of graphite with an AA' structure. The non-Bernal AA' allotrope of graphite is synthesized by the thermal- and plasma-treatment of graphene nanopowders at ~1,500?°C. The formation of AA' bilayer graphene nuclei facilitates the preferred texture growth and results in single-crystal AA' graphite in the form of nanoribbons (1D) or microplates (2D) of a few nm in thickness. Kinetically controlled AA' graphite exhibits unique nano- and single-crystalline feature and shows quasi-linear behavior near the K-point of the electronic band structure resulting in anomalous optical and acoustic phonon behavior.
| S-EPMC5175192 | biostudies-literature
Project description:In the context of a global artificial photosynthesis (GAP) project, we review our current work on nature's water splitting catalyst. In a recent report (Cox et al. 2014 Science 345, 804-808 (doi:10.1126/science.1254910)), we showed that the catalyst-a Mn4O5Ca cofactor-converts into an 'activated' form immediately prior to the O-O bond formation step. This activated state, which represents an all Mn(IV) complex, is similar to the structure observed by X-ray crystallography but requires the coordination of an additional water molecule. Such a structure locates two oxygens, both derived from water, in close proximity, which probably come together to form the product O2 molecule. We speculate that formation of the activated catalyst state requires inherent structural flexibility. These features represent new design criteria for the development of biomimetic and bioinspired model systems for water splitting catalysts using first-row transition metals with the aim of delivering globally deployable artificial photosynthesis technologies.
| S-EPMC4410565 | biostudies-literature
Project description:BackgroundMetadata are created to describe the corresponding data in a detailed and unambiguous way and is used for various applications in different research areas, for example, data identification and classification. However, a clear definition of metadata is crucial for further use. Unfortunately, extensive experience with the processing and management of metadata has shown that the term "metadata" and its use is not always unambiguous.ObjectiveThis study aimed to understand the definition of metadata and the challenges resulting from metadata reuse.MethodsA systematic literature search was performed in this study following the PRISMA (Preferred Reporting Items for Systematic Reviews and Meta-Analyses) guidelines for reporting on systematic reviews. Five research questions were identified to streamline the review process, addressing metadata characteristics, metadata standards, use cases, and problems encountered. This review was preceded by a harmonization process to achieve a general understanding of the terms used.ResultsThe harmonization process resulted in a clear set of definitions for metadata processing focusing on data integration. The following literature review was conducted by 10 reviewers with different backgrounds and using the harmonized definitions. This study included 81 peer-reviewed papers from the last decade after applying various filtering steps to identify the most relevant papers. The 5 research questions could be answered, resulting in a broad overview of the standards, use cases, problems, and corresponding solutions for the application of metadata in different research areas.ConclusionsMetadata can be a powerful tool for identifying, describing, and processing information, but its meaningful creation is costly and challenging. This review process uncovered many standards, use cases, problems, and solutions for dealing with metadata. The presented harmonized definitions and the new schema have the potential to improve the classification and generation of metadata by creating a shared understanding of metadata and its context.
| S-EPMC8790684 | biostudies-literature
Project description:Tungsten tetraboride (WB(4)) is an interesting candidate as a less expensive member of the growing group of superhard transition metal borides. WB(4) was successfully synthesized by arc melting from the elements. Characterization using powder X-ray diffraction (XRD) and energy-dispersive X-ray spectroscopy (EDX) indicates that the as-synthesized material is phase pure. The zero-pressure bulk modulus, as measured by high-pressure X-ray diffraction for WB(4), is 339 GPa. Mechanical testing using microindentation gives a Vickers hardness of 43.3 ± 2.9 GPa under an applied load of 0.49 N. Various ratios of rhenium were added to WB(4) in an attempt to increase hardness. With the addition of 1 at.% Re, the Vickers hardness increased to approximately 50 GPa at 0.49 N. Powders of tungsten tetraboride with and without 1 at.% Re addition are thermally stable up to approximately 400 °C in air as measured by thermal gravimetric analysis.
| S-EPMC3131357 | biostudies-literature
Project description:The quest of novel compounds with special structures and unusual functionalities continues to be a central challenge to modern materials science. Even though their exact structures have puzzled scientists for decades, superhard transition-metal borides (TMBs) have long been believed to exist only in simple crystal structures. Here, we report on a polytypic phenomenon in superhard WB3 and MoB3 with a series of energetically degenerate structures due to the random stacking of metal layers amongst the interlocking boron layers. Such polytypism can create a multiphase solid-solution compound with a large number of interfaces amongst different polytypes, and these interfaces will strongly hinder the interlayer sliding movement within each polytype, thereby further increase the hardness of this particular material. Furthermore, in contrast to the conventional knowledge that intrinsically strong chemical bonds in superhard materials should lead to high lattice thermal conductivity, the polytypic TMB3 manifest anomalously low lattice thermal conductivity due to structural disorders and phonon folding. These findings promise to open a new avenue to searching for novel superhard materials with additional functionalities.
| S-EPMC4033921 | biostudies-literature
Project description:Syncope, defined as a transient loss of consciousness caused by transient global cerebral hypoperfusion, affects 30-40% of humans during their lifetime. Vasovagal syncope (VVS) is the most common cause of syncope, the etiology of which is still unclear. This review summarizes data on the genetics of VVS, describing the inheritance pattern of the disorder, candidate gene association studies and genome-wide studies. According to this evidence, VVS is a complex disorder, which can be caused by the interplay between genetic factors, whose contribution varies from monogenic Mendelian inheritance to polygenic inherited predisposition, and external factors affecting the monogenic (resulting in incomplete penetrance) and polygenic syncope types.
| S-EPMC8508958 | biostudies-literature
Project description:In recent years, state-of-the-art computational modeling of physical and chemical systems has shown itself to be an invaluable resource in the prediction of the properties and behavior of functional materials. However, construction of a useful computational model for novel systems in both academic and industrial contexts often requires a great depth of physicochemical theory and/or a wealth of empirical data, and a shortage in the availability of either frustrates the modeling process. In this work, computational intelligence is instead used, including artificial neural networks and evolutionary computation, to enhance our understanding of nature-inspired superhydrophobic behavior. The relationships between experimental parameters (water droplet volume, weight percentage of nanoparticles used in the synthesis of the polymer composite, and distance separating the superhydrophobic surface and the pendant water droplet in adhesive force measurements) and multiple objectives (water droplet contact angle, sliding angle, and adhesive force) are built and weighted. The obtained optimal parameters are consistent with the experimental observations. This new approach to materials modeling has great potential to be applied more generally to aid design, fabrication, and optimization for myriad functional materials.
| S-EPMC5770681 | biostudies-literature
Project description:Political trust is a perennially important concern and the events of the last few years have, in many ways, heightened this importance. The relevant scholarship has done much to meet this challenge but continues to struggle with definitional unclarities and an inability to provide accounts that consistently operate as expected. The current research seeks to test the potential of a classic model of trust from the organizational sciences that makes specific arguments regarding the psychological nature and mechanisms of the construct in helping to address these concerns. Using data from a national convenience sample, we provide preliminary evidence which suggests that measures and models addressing this theoretical account of psychological trust form unidimensional and reliable measures that may more precisely explain the process of political trust and outperform current measures in predicting relevant correlates. We conclude by discussing the implications and limitations of our work and, in so doing, lay a foundation for a new research agenda for political trust.
| S-EPMC6519795 | biostudies-literature
Project description:Dual-ion batteries (DIBs) generally operate beyond 4.7 V vs Li+/Li0 and rely on the intercalation of both cations and anions in graphite electrodes. Major challenges facing the development of DIBs are linked to electrolyte decomposition at the cathode-electrolyte interface (CEI), graphite exfoliation, and corrosion of Al current collectors. In this work, X-ray photoelectron spectroscopy (XPS) is employed to gain a broad understanding of the nature and dynamics of the CEI built on anion-intercalated graphite cycled both in highly concentrated electrolytes (HCEs) of common lithium salts (LiPF6, LiFSI, and LiTFSI) in carbonate solvents and in a typical ionic liquid. Though Al metal current collectors were adequately stable in all HCEs, the Coulombic efficiency was substantially higher for HCEs based on LiFSI and LiTFSI salts. Specific capacities ranging from 80 to 100 mAh g-1 were achieved with a Coulombic efficiency above 90% over extended cycling, but cells with LiPF6-based electrolytes were characterized by <70% Coulombic efficiency and specific capacities of merely ca. 60 mAh g-1. The poor performance in LiPF6-containing electrolytes is indicative of the continual buildup of decomposition products at the interface due to oxidation, forming a thick interfacial layer rich in LixPFy, POxFy, LixPOyFz, and organic carbonates as evidenced by XPS. In contrast, insights from XPS analyses suggested that anion intercalation and deintercalation processes in the range from 3 to 5.1 V give rise to scant or extremely thin surface layers on graphite electrodes cycled in LiFSI- and LiTFSI-containing HCEs, even allowing for probing anions intercalated in the near-surface bulk. In addition, ex situ Raman, SEM and TEM characterizations revealed the presence of a thick coating on graphite particles cycled in LiPF6-based electrolytes regardless of salt concentration, while hardly any surface film was observed in the case of concentrated LiFSI and LiTFSI electrolytes.
| S-EPMC7880527 | biostudies-literature