@article{WOS:000343686500064,
  abstract = {The ability to control the spin-transport properties of a molecule 
 bridging conducting electrodes is of paramount importance to molecular 
 spintronics. Quantum interference can play an important role in allowing 
 or forbidding electrons from passing through a system. In this work, the 
 spin-transport properties of a polyacetylene chain bridging zigzag 
 graphene nanoribbons (ZGNRs) are studied with nonequilibrium Greens 
 function calculations performed within the density functional theory 
 framework (NEGF-DFT). ZGNR electrodes have inherent spin polarization 
 along their edges, which causes a splitting between the properties of 
 spin-up and spin-down electrons in these systems. Upon adding an 
 imidazole donor group and a pyridine acceptor group to the polyacetylene 
 chain, this causes destructive interference features in the electron 
 transmission spectrum. Particularly, the donor group causes a large 
 antiresonance dip in transmission at the Fermi energy EF of the 
 electrodes. The application of a gate is investigated and found to 
 provide control over the energy position of this feature making it 
 possible to turn this phenomenon on and off. The currentvoltage (IV) 
 characteristics of this system are also calculated, showing near ohmic 
 scaling for spin-up but negative differential resistance (NDR) for 
 spin-down.},
  added-at = {2022-05-23T20:00:14.000+0200},
  address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA},
  author = {Saraiva-Souza, Aldilene and Smeu, Manuel and Zhang, Lei and Filho, Antonio Gomes Souza and Guo, Hong and Ratner, Mark A},
  biburl = {https://www.bibsonomy.org/bibtex/2ea61bd5918e32f520c7eb1ad2fa392cc/ppgfis_ufc_br},
  doi = {10.1021/ja508537n},
  interhash = {1cd4b4225f6fdc7786ae00aa7617de85},
  intrahash = {ea61bd5918e32f520c7eb1ad2fa392cc},
  issn = {0002-7863},
  journal = {JOURNAL OF THE AMERICAN CHEMICAL SOCIETY},
  keywords = {imported},
  number = 42,
  pages = {15065-15071},
  publisher = {AMER CHEMICAL SOC},
  pubstate = {published},
  timestamp = {2022-05-23T20:00:14.000+0200},
  title = {Molecular Spintronics: Destructive Quantum Interference Controlled by a 
 Gate},
  tppubtype = {article},
  volume = 136,
  year = 2014
}

{"_id":"YBk2eXZAJ79xdZNzS","bibbaseid":"saraivasouza-smeu-zhang-filho-guo-ratner-molecularspintronicsdestructivequantuminterferencecontrolledbyagate-2014","author_short":["Saraiva-Souza, A.","Smeu, M.","Zhang, L.","Filho, A. G. S.","Guo, H.","Ratner, M. A"],"bibdata":{"bibtype":"article","type":"article","abstract":"The ability to control the spin-transport properties of a molecule bridging conducting electrodes is of paramount importance to molecular spintronics. Quantum interference can play an important role in allowing or forbidding electrons from passing through a system. In this work, the spin-transport properties of a polyacetylene chain bridging zigzag graphene nanoribbons (ZGNRs) are studied with nonequilibrium Greens function calculations performed within the density functional theory framework (NEGF-DFT). ZGNR electrodes have inherent spin polarization along their edges, which causes a splitting between the properties of spin-up and spin-down electrons in these systems. Upon adding an imidazole donor group and a pyridine acceptor group to the polyacetylene chain, this causes destructive interference features in the electron transmission spectrum. Particularly, the donor group causes a large antiresonance dip in transmission at the Fermi energy EF of the electrodes. The application of a gate is investigated and found to provide control over the energy position of this feature making it possible to turn this phenomenon on and off. The currentvoltage (IV) characteristics of this system are also calculated, showing near ohmic scaling for spin-up but negative differential resistance (NDR) for spin-down.","added-at":"2022-05-23T20:00:14.000+0200","address":"1155 16TH ST, NW, WASHINGTON, DC 20036 USA","author":[{"propositions":[],"lastnames":["Saraiva-Souza"],"firstnames":["Aldilene"],"suffixes":[]},{"propositions":[],"lastnames":["Smeu"],"firstnames":["Manuel"],"suffixes":[]},{"propositions":[],"lastnames":["Zhang"],"firstnames":["Lei"],"suffixes":[]},{"propositions":[],"lastnames":["Filho"],"firstnames":["Antonio","Gomes","Souza"],"suffixes":[]},{"propositions":[],"lastnames":["Guo"],"firstnames":["Hong"],"suffixes":[]},{"propositions":[],"lastnames":["Ratner"],"firstnames":["Mark","A"],"suffixes":[]}],"biburl":"https://www.bibsonomy.org/bibtex/2ea61bd5918e32f520c7eb1ad2fa392cc/ppgfis_ufc_br","doi":"10.1021/ja508537n","interhash":"1cd4b4225f6fdc7786ae00aa7617de85","intrahash":"ea61bd5918e32f520c7eb1ad2fa392cc","issn":"0002-7863","journal":"JOURNAL OF THE AMERICAN CHEMICAL SOCIETY","keywords":"imported","number":"42","pages":"15065-15071","publisher":"AMER CHEMICAL SOC","pubstate":"published","timestamp":"2022-05-23T20:00:14.000+0200","title":"Molecular Spintronics: Destructive Quantum Interference Controlled by a Gate","tppubtype":"article","volume":"136","year":"2014","bibtex":"@article{WOS:000343686500064,\n abstract = {The ability to control the spin-transport properties of a molecule \n bridging conducting electrodes is of paramount importance to molecular \n spintronics. Quantum interference can play an important role in allowing \n or forbidding electrons from passing through a system. In this work, the \n spin-transport properties of a polyacetylene chain bridging zigzag \n graphene nanoribbons (ZGNRs) are studied with nonequilibrium Greens \n function calculations performed within the density functional theory \n framework (NEGF-DFT). ZGNR electrodes have inherent spin polarization \n along their edges, which causes a splitting between the properties of \n spin-up and spin-down electrons in these systems. Upon adding an \n imidazole donor group and a pyridine acceptor group to the polyacetylene \n chain, this causes destructive interference features in the electron \n transmission spectrum. Particularly, the donor group causes a large \n antiresonance dip in transmission at the Fermi energy EF of the \n electrodes. The application of a gate is investigated and found to \n provide control over the energy position of this feature making it \n possible to turn this phenomenon on and off. The currentvoltage (IV) \n characteristics of this system are also calculated, showing near ohmic \n scaling for spin-up but negative differential resistance (NDR) for \n spin-down.},\n added-at = {2022-05-23T20:00:14.000+0200},\n address = {1155 16TH ST, NW, WASHINGTON, DC 20036 USA},\n author = {Saraiva-Souza, Aldilene and Smeu, Manuel and Zhang, Lei and Filho, Antonio Gomes Souza and Guo, Hong and Ratner, Mark A},\n biburl = {https://www.bibsonomy.org/bibtex/2ea61bd5918e32f520c7eb1ad2fa392cc/ppgfis_ufc_br},\n doi = {10.1021/ja508537n},\n interhash = {1cd4b4225f6fdc7786ae00aa7617de85},\n intrahash = {ea61bd5918e32f520c7eb1ad2fa392cc},\n issn = {0002-7863},\n journal = {JOURNAL OF THE AMERICAN CHEMICAL SOCIETY},\n keywords = {imported},\n number = 42,\n pages = {15065-15071},\n publisher = {AMER CHEMICAL SOC},\n pubstate = {published},\n timestamp = {2022-05-23T20:00:14.000+0200},\n title = {Molecular Spintronics: Destructive Quantum Interference Controlled by a \n Gate},\n tppubtype = {article},\n volume = 136,\n year = 2014\n}\n\n","author_short":["Saraiva-Souza, A.","Smeu, M.","Zhang, L.","Filho, A. 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