Browse
Submit Data
Databases
API
Help

Dataset Information

23 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Strong correlation between electronic bonding network and critical temperature in hydrogen-based superconductors.

ABSTRACT: By analyzing structural and electronic properties of more than a hundred predicted hydrogen-based superconductors, we determine that the capacity of creating an electronic bonding network between localized units is key to enhance the critical temperature in hydrogen-based superconductors. We define a magnitude named as the networking value, which correlates with the predicted critical temperature better than any other descriptor analyzed thus far. By classifying the studied compounds according to their bonding nature, we observe that such correlation is bonding-type independent, showing a broad scope and generality. Furthermore, combining the networking value with the hydrogen fraction in the system and the hydrogen contribution to the density of states at the Fermi level, we can predict the critical temperature of hydrogen-based compounds with an accuracy of about 60 K. Such correlation is useful to screen new superconducting compounds and offers a deeper understating of the chemical and physical properties of hydrogen-based superconductors, while setting clear paths for chemically engineering their critical temperatures.

SUBMITTER: Belli F

PROVIDER: S-EPMC8446067 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

Magnetic field screening in hydrogen-rich high-temperature superconductors.

Project description:In the last few years, the superconducting transition temperature, Tc, of hydrogen-rich compounds has increased dramatically, and is now approaching room temperature. However, the pressures at which these materials are stable exceed one million atmospheres and limit the number of available experimental studies. Superconductivity in hydrides has been primarily explored by electrical transport measurements, whereas magnetic properties, one of the most important characteristic of a superconductor, have not been satisfactory defined. Here, we develop SQUID magnetometry under extreme high-pressure conditions and report characteristic superconducting parameters for Im-3m-H3S and Fm-3m-LaH10-the representative members of two families of high-temperature superconducting hydrides. We determine a lower critical field Hc1 of ∼0.82 T and ∼0.55 T, and a London penetration depth λL of ∼20 nm and ∼30 nm in H3S and LaH10, respectively. The small values of λL indicate a high superfluid density in both hydrides. These compounds have the values of the Ginzburg-Landau parameter κ ∼12-20 and belong to the group of "moderate" type II superconductors, rather than being hard superconductors as would be intuitively expected from their high Tcs.

| S-EPMC9184750 | biostudies-literature

Electronic phase diagram of high-temperature copper oxide superconductors.

Project description:In order to understand the origin of high-temperature superconductivity in copper oxides, we must understand the normal state from which it emerges. Here, we examine the evolution of the normal state electronic excitations with temperature and carrier concentration in Bi(2)Sr(2)CaCu(2)O(8+?) using angle-resolved photoemission. In contrast to conventional superconductors, where there is a single temperature scale T(c) separating the normal from the superconducting state, the high-temperature superconductors exhibit two additional temperature scales. One is the pseudogap scale T(?), below which electronic excitations exhibit an energy gap. The second is the coherence scale T(coh), below which sharp spectral features appear due to increased lifetime of the excitations. We find that T(?) and T(coh) are strongly doping dependent and cross each other near optimal doping. Thus the highest superconducting T(c) emerges from an unusual normal state that is characterized by coherent excitations with an energy gap.

| S-EPMC3111284 | biostudies-literature

On the correlation between hydrogen bonding and melting points in the inositols.

Project description:Inositol, 1,2,3,4,5,6-hexahydroxycyclohexane, exists in nine stereoisomers with different crystal structures and melting points. In a previous paper on the relationship between the melting points of the inositols and the hydrogen-bonding patterns in their crystal structures [Simperler et al. (2006 ?). CrystEngComm 8, 589], it was noted that although all inositol crystal structures known at that time contained 12 hydrogen bonds per molecule, their melting points span a large range of about 170?°C. Our preliminary investigations suggested that the highest melting point must be corrected for the effect of molecular symmetry, and that the three lowest melting points may need to be revised. This prompted a full investigation, with additional experiments on six of the nine inositols. Thirteen new phases were discovered; for all of these their crystal structures were examined. The crystal structures of eight ordered phases could be determined, of which seven were obtained from laboratory X-ray powder diffraction data. Five additional phases turned out to be rotator phases and only their unit cells could be determined. Two previously unknown melting points were measured, as well as most enthalpies of melting. Several previously reported melting points were shown to be solid-to-solid phase transitions or decomposition points. Our experiments have revealed a complex picture of phases, rotator phases and phase transitions, in which a simple correlation between melting points and hydrogen-bonding patterns is not feasible.

| S-EPMC4104965 | biostudies-literature

Cooperative Tridentate Hydrogen-Bonding Interactions Enable Strong Underwater Adhesion.

Project description:Multidentate hydrogen-bonding interactions are a promising strategy to improve underwater adhesion. Molecular and macroscale experiments have revealed an increase in underwater adhesion by incorporating multidentate H-bonding groups, but quantitatively relating the macroscale adhesive strength to cooperative hydrogen-bonding interactions remains challenging. Here, we investigate whether tridentate alcohol moieties incorporated in a model epoxy act cooperatively to enhance adhesion. We first demonstrate that incorporation of tridentate alcohol moieties leads to comparable adhesive strength with mica and aluminum in air and in water. We then show that the presence of tridentate groups leads to energy release rates that increase with an increase in crack velocity in air and in water, while materials lacking these groups do not display rate-dependent adhesion. We model the rate-dependent adhesion to estimate the activation energy of the interfacial bonds. Based on our data, we estimate the lifetime of these bonds to be between 2 ms and 6 s, corresponding to an equilibrium activation energy between 23kBT and 31kBT. These values are consistent with tridentate hydrogen bonding, suggesting that the three alcohol groups in the Tris moiety bond cooperatively form a robust adhesive interaction underwater.

| S-EPMC10375471 | biostudies-literature

Author Correction: Magnetic field screening in hydrogen-rich high-temperature superconductors

Project description: Not available

| S-EPMC10474084 | biostudies-literature

Osmolyte-induced perturbations of hydrogen bonding between hydration layer waters: correlation with protein conformational changes.

Project description:Gadolinium vibronic sideband luminescence spectroscopy (GVSBLS) is used to probe osmolyte-induced changes in the hydrogen bond strength between first and second shell waters on the surface of free Gd(3+) and Gd(3+) coordinated to EDTA and to structured calcium binding peptides in solution. In parallel, Raman is used to probe the corresponding impact of the same set of osmolytes on hydrogen bonding among waters in the bulk phase. Increasing concentration of added urea is observed to progressively weaken the hydrogen bonding within the hydration layer but has minimal observed impact on bulk water. In contrast, polyols are observed to enhance hydrogen bonding in both the hydration layer and the bulk with the amplitude being polyol dependent with trehalose being more effective than sucrose, glucose, or glycerol. The observed patterns indicate that the size and properties of the osmolyte as well as the local architecture of the specific surface site of hydration impact preferential exclusion effects and local hydrogen bond strength. Correlation of the vibronic spectra with CD measurements on the peptides as a function of added osmolytes shows an increase in secondary structure with added polyols and that the progressive weakening of the hydrogen bonding upon addition of urea first increases water occupancy within the peptide and only subsequently does the peptide unfold. The results support models in which the initial steps in the unfolding process involve osmolyte-induced enhancement of water occupancy within the interior of the protein.

| S-EPMC3354986 | biostudies-literature

Hydrogen Bonding with Hydridic Hydrogen-Experimental Low-Temperature IR and Computational Study: Is a Revised Definition of Hydrogen Bonding Appropriate?

Project description:Spectroscopic characteristics of Me3Si-H···Y complexes (Y = ICF3, BrCN, and HCN) containing a hydridic hydrogen were determined experimentally by low-temperature IR experiments based on the direct spectral measurement of supersonically expanded intermediates on a cold substrate or by the technique of argon-matrix isolation as well as computationally at harmonic and one-dimensional anharmonic levels. The computations were based on DFT-D, MP2, MP2-F12, and CCSD(T)-F12 levels using various extended AO basis sets. The formation of all complexes related to the redshift of the Si-H stretching frequency upon complex formation was accompanied by an increase in its intensity. Similar results were obtained for another 10 electron acceptors of different types, positive σ-, π-, and p-holes and cations. The formation of HBe-H···Y complexes, studied only computationally and again containing a hydridic hydrogen, was characterized by the blueshift of the Be-H stretching frequency upon complexation accompanied by an increase in its intensity. The spectral shifts and stabilization energies obtained for all presently studied hydridic H-bonded complexes were comparable to those in protonic H-bonded complexes, which has prompted us to propose a modification of the existing IUPAC definition of H-bonding that covers, besides the classical protonic form, the non-classical hydridic and dihydrogen forms.

| S-EPMC10119939 | biostudies-literature

A route for a strong increase of critical current in nanostrained iron-based superconductors.

Project description:The critical temperature Tc and the critical current density Jc determine the limits to large-scale superconductor applications. Superconductivity emerges at Tc. The practical current-carrying capability, measured by Jc, is the ability of defects in superconductors to pin the magnetic vortices, and that may reduce Tc. Simultaneous increase of Tc and Jc in superconductors is desirable but very difficult to realize. Here we demonstrate a route to raise both Tc and Jc together in iron-based superconductors. By using low-energy proton irradiation, we create cascade defects in FeSe0.5Te0.5 films. Tc is enhanced due to the nanoscale compressive strain and proximity effect, whereas Jc is doubled under zero field at 4.2 K through strong vortex pinning by the cascade defects and surrounding nanoscale strain. At 12 K and above 15 T, one order of magnitude of Jc enhancement is achieved in both parallel and perpendicular magnetic fields to the film surface.

| S-EPMC5059717 | biostudies-literature

Near-field radiative heat transfer between high-temperature superconductors.

Project description:Near-field radiative heat transfer (NFRHT) management can be achieved using high-temperature superconductors. In this work, we present a theoretical study of the radiative heat transfer between two [Formula: see text] (YBCO) slabs in three different scenarios: Both slabs either in the normal or superconducting state, and only one of them below the superconductor critical temperature [Formula: see text]. The radiative heat transfer is calculated using Rytov's theory of fluctuating electrodynamics, while a two-fluid model describes the dielectric function of the superconducting materials. Our main result is the significant suppression of the NFRHT when one or both of the slabs are superconducting, which is explained in terms of the detailed balance of the charge carriers density together with the sudden reduction of the free electron scattering rate. A critical and unique feature affecting the radiative heat transfer between high-temperature superconductors is the large damping of the mid-infrared carriers which screens the surface plasmon excitation.

| S-EPMC7527961 | biostudies-literature

Strong orbital interaction in a weak CH-π hydrogen bonding system.

Project description:For the first time, the intermolecular orbital interaction between benzene and methane in the benzene-methane complex, a representative of weak interaction system, has been studied by us using ab initio calculations based on different methods and basis sets. Our results demonstrate obvious intermolecular orbital interaction between benzene and methane involving orbital overlaps including both occupied and unoccupied orbitals. Similar to interatomic orbital interaction, the intermolecular interaction of orbitals forms "bonding" and "antibonding" orbitals. In the interaction between occupied orbitals, the total energy of the complex increases because of the occupation of the antibonding orbital. The existence of the CH-π hydrogen bond between benzene and methane causes a decrease in rest energy level, leading to at least -1.51 kcal/mol intermolecular interaction energy. Our finding extends the concept of orbital interaction from the intramolecular to the intermolecular regime and gives a reliable explanation of the deep orbital reformation in the benzene-methane complex.

| S-EPMC4772115 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data