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Catalysis Series
Metal Nanoparticles for Catalysis: Advances and Applications
Edited by
Franklin (Feng) Tao
Franklin (Feng) Tao
University of Kansas, USA
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Hardback ISBN:
978-1-78262-033-4
PDF ISBN:
978-1-78262-103-4
EPUB ISBN:
978-1-78262-184-3
Series:
Catalysis Series
No. of Pages:
266
Published online:
12 Jun 2014
Published in print:
24 Jun 2014
Book Chapter
CHAPTER 12: Theoretical Insights into Metal Nanocatalysts
By
Ping Liu
Ping Liu
Chemistry Department, Brookhaven National Laboratory
Upton
NY 11973
United States of America
[email protected]
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Published:12 Jun 2014
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Series: Catalysis Series
Page range:
219 - 234
Citation
P. Liu, in Metal Nanoparticles for Catalysis: Advances and Applications, ed. F. (. Tao, The Royal Society of Chemistry, 2014, pp. 219-234.
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Over the past few decades, advances in methodology, software and the power of supercomputers have made computational approaches capable of providing qualitative, and in many cases quantitative, insights into catalysis. This chapter reports theoretical studies on supported and unsupported metal nanocatalysts. It is demonstrated that theory plays a very important role, not only in helping to pinpoint the reaction mechanism and active sites of working catalysts, but also to in providing guidance for developing new advanced catalysts.
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