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Exploring at nanoscale from first principles

Fu, Qiang (author)
KTH,Teoretisk kemi
Yuan, Lan-feng (author)
Luo, Yi (author)
KTH,Teoretisk kemi
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Yang, Jin-long (author)
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 (creator_code:org_t)
2009-05-30
2009
English.
In: FRONTIERS OF PHYSICS IN CHINA. - : Springer Science and Business Media LLC. - 1673-3487 .- 1673-3606. ; 4:3, s. 256-268
  • Journal article (peer-reviewed)
Abstract Subject headings
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  • Systems at the nanoscale can exhibit distinctive and unexpected properties in electrical, magnetic, mechanical, and chemical aspects. Understanding these properties not only is of importance from the fundamental scientific view but also offers great opportunities for future applications. Theoretical calculations can provide important information to interpret, modify, and predict the novel properties of objects at the nanoscale and therefore play a significant role in the process of exploring the nano world. In this review, six different areas are briefly presented, namely, prediction of new stable structures, modi. cation of properties (especially the electronic structures), design of novel devices for applications, the structures and catalytic effects of clusters, the mechanical and transport properties of gold nanowires, and improvement of materials for hydrogen storage. Based on these examples, we show what can be done and what can be found in the investigations of nanoscale systems with participation of theoretical calculations.

Subject headings

NATURVETENSKAP  -- Fysik (hsv//swe)
NATURAL SCIENCES  -- Physical Sciences (hsv//eng)

Keyword

first-principles calculations
nanostructures
electronic structures
design of novel devices
catalytic effects of clusters
gold nanowires
hydrogen storage
Physics
Fysik

Publication and Content Type

ref (subject category)
art (subject category)

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Fu, Qiang
Yuan, Lan-feng
Luo, Yi
Yang, Jin-long
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NATURAL SCIENCES
NATURAL SCIENCES
and Physical Science ...
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FRONTIERS OF PHY ...
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Royal Institute of Technology

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