Linked Life Data

15904172

Source:http://linkedlifedata.com/resource/pubmed/id/15904172

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
15
pubmed:dateCreated
2005-5-20
pubmed:abstractText
We present a first-principles study of the coherent charge transport properties of bistable [2]catenane molecular monolayers sandwiched between Au(111) electrodes. We find that conduction channels around the Fermi level are dominated by the two highest occupied molecular orbital levels from tetrathiafulvalene (TTF) and dioxynaphthalene (DNP) and the two lowest unoccupied molecular orbital levels from tetracationic cyclophane (CBPQT4+), and the OFF to ON switching results from the energetic shifts of these orbitals as CBPQT4+ moves from TTF to DNP. We show that the superposition principle can be adopted for predicting the function of the composite device.
pubmed:language
eng
pubmed:journal
pubmed:status
PubMed-not-MEDLINE
pubmed:month
Apr
pubmed:issn
0031-9007
pubmed:author
pubmed:issnType
Print
pubmed:day
22
pubmed:volume
94
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
156801
pubmed:year
2005
pubmed:articleTitle
First-principles study of the switching mechanism of [2]catenane molecular electronic devices.
pubmed:affiliation
Materials and Process Simulation Center, California Institute of Technology, Pasadena, California 91125-7400, USA.
pubmed:publicationType
Journal Article