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| Author | Leenaerts, O.; Partoens, B.; Peeters, F.M. | ||||
| Title | Adsorption of small molecules on graphene | Type | A1 Journal article | ||
Year  |
2009 | Publication | Microelectronics journal | Abbreviated Journal | Microelectron J |
| Volume | 40 | Issue | 4/5 | Pages | 860-862 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | We investigate the adsorption process of small molecules on graphene through first-principles calculations and show the presence of two main charge transfer mechanisms. Which mechanism is the dominant one depends on the magnetic properties of the adsorbing molecules. We explain these mechanisms through the density of states of the system and the molecular orbitals of the adsorbates, and demonstrate the possible difficulties in calculating the charge transfer from first principles between a graphene sheet and a molecule. Our results are in good agreement with experiment. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Luton | Editor | ||
| Language | Wos | 000265870200058 | Publication Date | 2008-12-26 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0026-2692; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.163 | Times cited | 116 | Open Access | |
| Notes | Approved | Most recent IF: 1.163; 2009 IF: 0.778 | |||
| Call Number | UA @ lucian @ c:irua:77030 | Serial | 65 | ||
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