Sentences with phrase «-rcb- electronic structure»

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

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

It is proposed that their activity is caused by local changes in the electronic structure.

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

A modern definition of metals is that they have overlapping conduction bands and valence bands in their electronic structure.

A global team led by University of Edinburgh chemists made a series of metallo - carbon neptunium compounds and carried out in - depth analyses to determine their molecular and electronic structures.

Lanthanides are a group of metals whose special electronic structure makes them attractive for use in optoelectronic applications.

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

A water - splitting photocatalyst that is operable at up to 600nm has been developed for the first time, using a transition - metal oxynitride whose electronic structure is suitable for long wavelength absorption.

In this research, a water - splitting photocatalyst that is operable at up to 600nm was developed for the first time, using a transition - metal oxynitride whose electronic structure is suitable for long wavelength absorption.

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.

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

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.

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

This dual state would make it possible to control the motion of the electrons exposed to the electric field of both the nucleus and the laser, and would let the physicists to create atoms with «new,» tunable by light, electronic structure.

Alireza is studying how their electronic structures change when this happens.

The paper unites disparate views of electronic structure for the first time, helping to connect theory with organic chemistry notation.

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.

The team utilized ab initio calculations of atoms» electronic structures and put these calculations in motion using molecular dynamics simulations.

First - principles electronic structure theory had matured to the point where materials I thought might be good candidates could be studied.

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

My postdoctoral work had involved extending electronic structure methods to study magnetic systems — exactly what I needed to predict the properties of new multiferroics.

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.»

«It is layered, similar to graphite, so a quasi-2D electronic structure would be more expected.

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

Their results are a significant step toward decoupling the cooling mechanism from the internal electronic structure — the «Holy Grail» of general molecular laser cooling.

However, the current technique of cooling atoms down from room temperature to the ultra-cold regime using optical molasses (the preferential scattering of laser photons from a particle in motion which leads to slowing) is limited to atoms with favourable electronic structure.

Minute variations in the tunneling current thus allow researchers to resolve individual atoms and atomic structures on surfaces and investigate their electronic structure.

They proposed a new way to study a cuprate, one that no other group had tried: a powerful imaging technique developed by Davis, called sublattice imaging - which is performed using a specialized scanning tunneling microscope (STM) capable of determining the electronic structure in different subsets of the atoms in the crystal, the so - called sublattices.

A new, freely accessible database of organic and organometallic materials» electronic structures is now available online for research with quantum materials.

But tracking how this process alters the electronic structure and associated nanoscale distortions as the material transforms from insulator to pseudogap phase and eventually full - blown superconductivity is no easy task.

One approach to solving this problem has been to study compounds that have similar crystal, magnetic and electronic structures to the cuprates.

Graphene, a single atomic layer of graphite with a carbon - layered structure, has been drawing much attention because of its abundant electronic properties and the possibilities of application due to its unique electronic structure.

The strain changed the film's electronic structure without altering its chemical composition, creating a catalyst better at driving chemical reactions.

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

An approach to an understanding of the electronic structure, geometrical preferences, and reactivity of these complexes may be made if the molecule is «decomposed» conceptually into a metal fragment, MLn, and a ligand.

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

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.

The OMDB web interface allows users to search for materials with specified target properties using non-trivial queries about their electronic structure, including advanced tools for pattern recognition, chemical and physical properties search.

Theory and experiment indicate that the suitable phenomenological electronic structure model of the CuO layers is that of the one - band Hubbard model.

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.

I had some advantages: First - principles electronic structure theory — in which the structure and properties of chemical compounds are calculated by solving the Schrödinger equation — had just matured enough to allow the study of materials that I thought might be good multiferroics candidates.

In fact, my postdoctoral training at Yale had involved extending existing electronic structure methods so that they could be used to study magnetic systems — exactly what I needed to predict the properties of new multiferroics.

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

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.

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.

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

But how to control the shape is related to how you passivate a surface during the growth process, and exactly how ligands passivate the surface [and how electronic structures happen] has never been well understood,» adds Lin - Wang Wang, senior staff scientist at Berkeley Lab and leader of Berkeley Lab's Computational Material Science and Nano Science Group.

The authors state that present - day electronic structure calculation techniques may provide an intrinsically inappropriate description of ligand - to - d hybridizations in late transition metal oxides.

The group, co-led by Dr. Ingo Salzmann and Prof. Norbert Koch, had previously experimented with and already modelled other systems to learn how doping organic semiconductors affects their electronic structure and thus their conductivity.