Partnerships can pay off when it comes to converting solar into chemical energy. By modeling a cadmium sulfide (CdS)–zinc sulfide (ZnS) alloy with special computational techniques, a Singapore-based research team has identified ...
Materials Science
Sep 26, 2012
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In his doctoral dissertation, Kurt Baarman, a researcher from Aalto University, developed methods for making electron density calculations more efficient. These methods can also be applied to pharmaceutical development.
Condensed Matter
Aug 24, 2012
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Like a bull in a china shop, a massive, iodine-based ion called iodate should disrupt the surrounding water molecules until it is forcibly expelled. However, it doesn't. This disconnect between the molecule's attributes and ...
Materials Science
Nov 8, 2011
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(PhysOrg.com) -- Researchers from the CNST and Arizona State University have demonstrated that the overall catalytic activity of nickel particles for the formation of carbon nanostructures is improved by the addition of a ...
Nanomaterials
Oct 13, 2011
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(PhysOrg.com) -- Magnetic materials in which the north and south poles can be reversed with an electric field may be ideal candidates for low-power electronic devices, such as those used for ultra-high data storage. But finding ...
Condensed Matter
May 17, 2011
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CNST Project Leader Rachel Cannara and collaborators from the United States Naval Academy (USNA) and the University of Pennsylvania have shown that atomic-scale surface roughness has a strong influence on adhesion for diamond, ...
Nanomaterials
Jan 20, 2011
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Lithium-sulfur (Li-S) battery could become practical if 20 percent of the theoretical energy densities (2600 Wh/kg or 2800 Wh/L) can be achieved. Investigators have the ambition to reach energy density of 500 Wh/kg in the ...
Materials Science
Jun 13, 2018
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While in most molecules, each electron finds a partner to pair up with, some electrons in radical molecules are left alone and unpaired. This configuration grants radicals with some unusual and interesting properties, which ...
Materials Science
Dec 13, 2017
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Kohn-Sham density functional theory is one of the most successful theories in chemistry. It is formally rigorous; its relatively low computational cost and competitive accuracy in small and medium-sized systems make it one ...
Quantum Physics
Sep 14, 2017
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Through high resolution scanning tunneling microscopy measurements and first principles Density Functional Theory based calculations, a novel atomic scale edge structure was shown to be stable for graphene islands grown on ...
Nanomaterials
Jul 9, 2014
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