ADSORPTION PROPERTIES OF N2 ON Be(0001) SURFACE: A FIRST-PRINCIPLES CALCULATION
2010 ◽
Vol 24
(09)
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pp. 859-865
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Keyword(s):
We study the adsorption properties of the N 2 molecule on the Be (0001) surface by calculating the potential energy surfaces and analyzing the electronic densities of states. It is found that the N 2 molecule cannot adsorb molecularly on the clean Be surface, and the dissociation energy barrier of N 2 is estimated to be as large as 4.10 eV. Our studies indicate that the Be surfaces cannot be used as N 2 cleaners, but might be used to drive out N 2 molecules in automotive catalytic converters.
1999 ◽
Vol 121
(51)
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pp. 12154-12160
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2015 ◽
Vol 17
(41)
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pp. 27789-27805
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Keyword(s):
Keyword(s):
1999 ◽
Vol 111
(21)
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pp. 9461-9464
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Keyword(s):
2020 ◽
2012 ◽
Vol 137
(22)
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pp. 22A541
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2011 ◽
Vol 11
(17)
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pp. 8965-8975
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2020 ◽