Sentences with phrase «electronic structure of»

Reply to Wallington et al.: Differences in electronic structure of global warming molecules lead to different molecular properties

So, should we take the mean of the ensemble of «physics based» models for the quantum electronic structure of atomic carbon and treat it as the best predictionof carbon's quantum structure?

A unique inside look at the electronic structure of a highly touted metal - organic framework (MOF) as it is adsorbing carbon dioxide gas should help in the design of new and improved MOFs for carbon capture and storage.

The ability to covalently link catalysts as an integral part of our COF / MOF structures to design and optimization, and modulation of the electronic structure of the catalyst to give very high performance.»

I assume it is something to do with the electronic structure of the molecules and the quantum energy levels in the molecules?

P.A. Ni, Y. Ping, A.J. Nelson, D. Prendergast, R.W. Lee, R.W. Falcone, P.A. Heimann, «Electronic Structure of Warm Dense Copper Studied by Ultrafast X-ray Absorption Spectroscopy», Phys.

He directs the Hendon Materials Simulation group which has diverse chemical interests ranging from electronic structure of solid - state and non-equilibrium materials to catalysis.

Just like chemists want to understand the electronic structure of a molecule, nuclear physicists want to unravel the structure of the atomic nucleus.

Elucidating the relationships between the atomic and electronic structure of natural materials with their reactivity and physical properties, particularly at surfaces, using various concepts and tools of surface science, chemistry, solid state physics, and crystal chemistry.

Professor Dresselhaus was one of the first researchers to map out the electronic structure of graphite, using various magneto - optical techniques.

The LLNL team has built a strong foundation of coupling spectroscopy experiments with advanced simulations and has recently extended their work to include electrochemical systems [1] and surface / interface electronic structure of hydrogen storage materials.

These include fundamental experimental studies of the geometric and electronic structure of oxide surfaces, as well as more applied studies that are developing oxides as catalytic materials.

Then, we explore the adhesion properties of eumelanin molecules on a silicon surface and extract the electronic structure of the resulting system.

The latest breakthrough in superconductors, which will be published March 20 in Science, answers a key question on the microscopic electronic structure of cuprate superconductors, the most celebrated material family in our quest for true room - temperature superconductivity.

A. Arko received the title of Laboratory Fellow in recognition for pioneering an entirely new means for studying the electronic structure of plutonium, developing the Laser Plasma Light Source, and his landmark achievements in the field of high - temperature superconductivity.

In summary, water (deprived of oxygen) causes only small changes due to the fact that it is difficult to get rid of all oxygen in our environment, but oxygen substantially modifies the electronic structure of this 2D material and accelerates its degradation.

Physicist Per Delsing explained at the announcement from the Royal Swedish Academy of Sciences: «The electronic structure of graphene is very unusual.

After depositing the germanium atoms onto a gold substrate, the researchers were able to confirm that the material was in fact germanene by taking spectroscopy measurements and density functional theory (DFT) calculations, which investigated the electronic structure of the material.

Periana's team realized that the different electronic structure of more abundant «main group» metals means that they wouldn't have to pay this energetic price, and, therefore, might be able to carry out the C - H to C - O transformation more efficiently.

«This means that traditional descriptions of the electronic structure of actinide elements are often of a qualitative nature — but this is precisely the area where quantitative models are needed because our understanding of core chemical concepts become increasingly nebulous at the foot of the periodic table.»

This is a conception of Earth's core overlaid by the electronic structure of iron; the width (fuzziness) of the lines results from the electron - electron scattering.

Researchers from The University of Manchester have taken a major step forward by describing the quantitative modelling of the electronic structure of a family of uranium nitride compounds — a process that could in the future help with nuclear waste recycling technologies.

The Fermi - Hubbard model was developed by Philip Anderson, Princeton's Joseph Henry Professor of Physics, Emeritus, who won a Nobel Prize in Physics in 1977 for his work on theoretical investigations of electronic structure of magnetic and disordered systems.

Doron Shabat and colleagues proposed that by tweaking the electronic structure of current probes to improve their inherent fluorescence, they could create a new single - component emission system that would work for many applications.

«The unique electronic structure of graphene along with its particular surface topography make it an ideal substrate for decoration with gold nanoparticles.

In her career as a physicist at the Massachusetts Institute of Technology (MIT) in Cambridge, Mildred «Millie» Dresselhaus, who is now 83, has researched the electronic structure of carbon in its myriad forms.

Then they carefully investigated the electronic structure of grown films by angle - resolved photoemission spectroscopy (ARPES) * 4.

By recording these patterns, researchers can work out the atomic and electronic structure of the material, resolving details smaller than the size of an atom.

The research team verified that the electronic structure of the nickelate resembles that of cuprate materials by taking X-ray absorption spectroscopy measurements at the Advanced Photon Source, a DOE Office of Science User Facility, and by performing density functional theory calculations.

«It's from 2010,» he says, «and this is my cellphone calculating the electronic structure of silicon in real time!»

What initially appears to be a slight difference has far - reaching effects on the geometric and electronic structure of the cofactor.

It's fascinating to see that simple chemical changes within a molecule, can have a profound influence on the electronic structure of molecules, leading to different electrical properties.»

In QM / MM simulations, an accurate but computationally complex and thus time - consuming quantum mechanical model is used to identify important features of the electronic structure of a chemically relevant region.

«What's really cool is you can look at the battery while it's operating, and look at the electronic structure of the cathodes.

OSLO — In her long career as a physicist at the Massachusetts Institute of Technology (MIT) in Cambridge, Mildred «Millie» Dresselhaus, who is now 83, has researched the electronic structure of carbon in its myriad forms, from bulk graphite to nanotubes.

This enables them to directly work on the electronic structure of the atom.

For the first time, they managed to control the shape of the laser pulse to keep an electron both free and bound to its nucleus, and were at the same time able to regulate the electronic structure of this atom dressed by the laser.

The unique geometric and electronic structure of the nitrogenated crystals make it potentially suitable for use in electronics, sensors and catalysis.

«The electronic structure of a molecule determines the quantum probability for electrons to flow through the nano - device,» says Reddy.

The confined electronic structure of nanoscale materials has increasingly been shown to induce behavior quite distinct from that of bulk analogs.

Breakthrough: IBM has simulated the electronic structure of a small molecule, using a seven - qubit quantum computer.

These responses resonate at specific light frequencies, leaving «spectral fingerprints» that illuminate the atomic and electronic structures of the system being studied.

These are electronic structures of Ce monopnictides which observed by soft X-ray angle - resolved photoemission spectroscopy, and its topological phase transition.

Addition of as little as 0.1 % molybdenum doping caused the resistivity of the telluride - type crystals to decrease dramatically at low temperatures, while they also demonstrated high thermoelectric powers that were closely related to the strongly one - dimensional electronic structures of the materials.

In order to make sense of a wealth of experimental data advanced ab initio calculations were used to build a rough picture of the electronic structures of these complexes, which was then refined using the experimentally obtained data to provide a final quantitive picture of the electronic structure.»

Although materials scientists have much less data than email providers or online stores, there is still enough publicly available data about atomic properties such as electronegativity, atomic radius and bonding geometry as well as the geometric and electronic structures of various materials that the same analysis tools are still useful.

His findings in dislocation theory, modeling of mechanical properties electronic structures of metals, especially the localized and delocalized states in diluted alloys, spin glasses, surface and cluster properties are unprecedented.

Not exact matches

«We have a nice combination of experience and young talent driving some of the change,» Supurna VedBrat, BlackRock's deputy head of trading and cohead of electronic trading and market structure, told Business Insider.

One of the major effects that the new web of electronic culture has lies in the reformation of moral structures - what is sometimes called destructuring.

The suggestion is that in our current era we are in the middle of a profound paradigm shift, brought about by the emergence and now dominance of electronic forms of social communication and their supporting ideological and economic structures.