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News articles about "Density functional"

Capturing and Converting Carbon Dioxide in a Single Step

Released 28 Aug 2015 1 05 PM EDTSource Newsroom Department of Energy Office of Science more news from this source Add to Favorites Contact Information Available for logged in reporters only Citations ACS Catalysis 5 ... - Read More

Keeping the Ions Close: A New Activity

Released 28 Aug 2015 1 45 PM EDTSource Newsroom Department of Energy Office of Science more news from this source Add to Favorites Contact Information Available for logged in reporters only Citations Journal of Physical ... - Read More

Mira Supercomputer use to Peer Inside High-Temperature Superconductors

Researchers from the University of Illinois at Urbana Champaign UIUC are using supercomputing resources at the Argonne Leadership Computing Facility ALCF a DOE Office of Science User Facility to shed light on the mysterious nature ... - Read More

A rapid extension of nanographene sheets from readily available hydrocarbons

The rapid and uniform construction of nanographene sheets has now become possible in a precisely controlled manner from a new catalytic system developed by a team of chemists at the Institute of Transformative Bio Molecules ... - Read More

The latest fashion: Graphene edges can be tailor-made

Theoretical physicists at Rice University are living on the edge as they study the astounding properties of graphene In a new study they figure out how researchers can fracture graphene nanoribbons to get the edges ... - Read More

Possible avenue to better electrolyte for lithium ion batteries

The lithium ion batteries that mobilize our electronic devices need to be improved if they are to power electric vehicles or store electrical energy for the grid Berkeley Lab researchers looking for a better understanding ... - Read More

Graphene 'cut and paste' with microwaves

Scientists in Russian Academy of Sciences Moscow have revealed a variety of transformations taking place on carbon surface under the influence of metal nanoparticles and microwaves Graphene cut and paste with metal nanoparticles was carried ... - Read More

Defects are perfect in laser-induced graphene

Researchers at Rice University have created flexible patterned sheets of multilayer graphene from a cheap polymer by burning it with a computer controlled laser The process works in air at room temperature and eliminates the ... - Read More

Upsetting the stability of super-small gold clusters generates multifaceted nanocrystals with potent catalytic properties

A*STAR researchers have devised a way to destabilize gold nanoclusters so that they form tiny atomic nuclei that then grow together into perfectly proportioned 12 sided dodecahedron crystals These unique polyhedra have energy rich surfaces ... - Read More

Scientists disprove theory that reconstructed boron surface is metallic

Scientific inquiry is a hit and miss proposition subject to constant checking and rechecking Recently a new class of materials was discovered called topological insulators nonmetallic materials with a metallic surface capable of conducting electrons ... - Read More

Uncertainty gives scientists new confidence in search for novel materials

Scientists at Stanford University and the Department of Energy's SLAC National Accelerator Laboratory have found a way to estimate uncertainties in computer calculations that are widely used to speed the search for new materials for ... - Read More

Vanishing da Vinci: Nondestructive way to determine state of degradation of ancient works of art

One of Leonardo da Vinci's masterpieces drawn in red chalk on paper during the early 1500s and widely believed to be a self portrait is in extremely poor condition Centuries of exposure to humid storage ... - Read More

The Play-by-Play of Energy Conversion: Catching Catalysts in Action

but some details remain hidden Beginning in 2015 the next generation National Synchrotron Light Source II NSLS II will provide even brighter x rays and the Center for Functional Nanomaterials CFN will operate the first ... - Read More

Breakthrough research produces brighter, more efficiently produced lighting

Light, Light
By determining simple guidelines researchers at UC Santa Barbara's Solid State Lighting & amp Energy Center SSLEC have made it possible to optimize phosphors a key component in white LED lighting allowing for brighter more ... - Read More

Gold nanoparticles give an edge in recycling carbon dioxide

Carbon, Carbon dioxide, Carbon dioxide, carbon
It's a 21st century alchemist's dream turning Earth's superabundance of carbon dioxide a greenhouse gas into fuel or useful industrial chemicals Researchers from Brown have shown that finely tuned gold nanoparticles can do the job ... - Read More

Nanocrystal catalyst transforms impure hydrogen into electricity

Catalyst
The quest to harness hydrogen as the clean burning fuel of the future demands the perfect catalysts nanoscale machines that enhance chemical reactions Scientists must tweak atomic structures to achieve an optimum balance of reactivity ... - Read More

Mysterious catalyst explained: How tiny gold particles aid the production of plastic components

Catalyst
From methanol to formaldehyde this reaction is the starting point for the synthesis of many everyday plastics Using catalysts made of gold particles formaldehyde could be produced without the environmentally hazardous waste generated in conventional ... - Read More

Cost-Saving Measure to Upgrade Ethanol to Butanol -- A Better Alternative to Gasoline

despite several disadvantages Ethanol for instance has a lower energy content per gallon than gasoline which can reduce fuel mileage Ethanol also has a corrosive effect on car engines and can’t easily be used in ... - Read More
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