PMID- 27918024
OWN - NLM
STAT- PubMed-not-MEDLINE
DCOM- 20180129
LR  - 20180129
IS  - 1463-9084 (Electronic)
IS  - 1463-9076 (Linking)
VI  - 19
IP  - 1
DP  - 2016 Dec 21
TI  - Uniform and perfectly linear current-voltage characteristics of nitrogen-doped 
      armchair graphene nanoribbons for nanowires.
PG  - 44-48
LID - 10.1039/c6cp06640b [doi]
AB  - Metallic nanowires with desired properties for molecular integrated circuits 
      (MICs) are especially significant in molectronics, but preparing such wires at a 
      molecular level still remains challenging. Here, we propose, from first 
      principles calculations, experimentally realizable edge-nitrogen-doped graphene 
      nanoribbons (N-GNRs) as promising candidates for nanowires. Our results show that 
      edge N-doping has distinct effects on the electronic structures and transport 
      properties of the armchair GNRs and zigzag GNRs (AGNRs, ZGNRs), due to the 
      formation of pyridazine and pyrazole rings at the edges. The pyridazine rings 
      raise the Fermi level and introduce delocalized energy bands near the Fermi 
      level, resulting in a highly enhanced conductance in N-AGNRs at the stable 
      nonmagnetic ground state. Especially for the family of AGNRs with widths of n = 
      3p + 2, their semiconducting characteristics are transformed to metallic 
      characteristics via N-doping, and they exhibit perfectly linear current-voltage 
      (I-V) behaviors. Such uniform and excellent features indicate bright application 
      prospects of the N-AGNRs as nanowires and electrodes in molectronics.
FAU - Liu, Lingling
AU  - Liu L
AD  - School of Optoelectronic Information, University of Electronic Science and 
      Technology of China, Chengdu, Sichuan 610054, P. R. China.
FAU - Li, Xiao-Fei
AU  - Li XF
AD  - School of Optoelectronic Information, University of Electronic Science and 
      Technology of China, Chengdu, Sichuan 610054, P. R. China.
FAU - Yan, Qing
AU  - Yan Q
AD  - School of Optoelectronic Information, University of Electronic Science and 
      Technology of China, Chengdu, Sichuan 610054, P. R. China.
FAU - Li, Qin-Kun
AU  - Li QK
AD  - School of Optoelectronic Information, University of Electronic Science and 
      Technology of China, Chengdu, Sichuan 610054, P. R. China.
FAU - Zhang, Xiang-Hua
AU  - Zhang XH
AD  - School of Optoelectronic Information, University of Electronic Science and 
      Technology of China, Chengdu, Sichuan 610054, P. R. China.
FAU - Deng, Mingsen
AU  - Deng M
AD  - Guizhou Synergetic Innovation Center of Scientific Big Data for Advanced 
      Manufacturing Technology, Guizhou Education University, Guiyang, 550018, China.
FAU - Qiu, Qi
AU  - Qiu Q
AD  - School of Optoelectronic Information, University of Electronic Science and 
      Technology of China, Chengdu, Sichuan 610054, P. R. China.
FAU - Luo, Yi
AU  - Luo Y
AD  - Guizhou Synergetic Innovation Center of Scientific Big Data for Advanced 
      Manufacturing Technology, Guizhou Education University, Guiyang, 550018, China 
      and Hefei National Laboratory for Physical Science at the Microscale, University 
      of Science and Technology of China, Hefei, Anhui 230026, P. R. China and 
      Department of Theoretical Chemistry and Biology, School of Biotechnology, KTH 
      Royal Institute of Technology, S-10691 Stockholm, Sweden.
LA  - eng
PT  - Journal Article
PL  - England
TA  - Phys Chem Chem Phys
JT  - Physical chemistry chemical physics : PCCP
JID - 100888160
EDAT- 2016/12/06 06:00
MHDA- 2016/12/06 06:01
CRDT- 2016/12/06 06:00
PHST- 2016/12/06 06:00 [pubmed]
PHST- 2016/12/06 06:01 [medline]
PHST- 2016/12/06 06:00 [entrez]
AID - 10.1039/c6cp06640b [doi]
PST - ppublish
SO  - Phys Chem Chem Phys. 2016 Dec 21;19(1):44-48. doi: 10.1039/c6cp06640b.