Clean Nanotube Unzipping by Abrupt Thermal Expansion of Molecular Nitrogen: Graphene Nanoribbons with Atomically Smooth Edges

Journal Article · Fri Feb 24 04:00:00 EST 2012 · ACS Nano

DOI:https://doi.org/10.1021/nn2043252· OSTI ID:1564833

Morelos-Gómez, Aarón; Vega-Díaz, Sofia Magdalena; González, Viviana Jehová ^[1]; Tristán-López, Ferdinando; Cruz-Silva, Rodolfo; Fujisawa, Kazunori; Muramatsu, Hiroyuki; Hayashi, Takuya; Mi, Xi; Shi, Yunfeng; Sakamoto, Hirotoshi; Khoerunnisa, Fitri; Kaneko, Katsumi; Sumpter, Bobby G. ^[2]; Kim, Yoong Ahm; Meunier, Vincent; Endo, Morinobu; Muñoz-Sandoval, Emilio ^[3]; Terrones, Mauricio ^[4]

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1. Departamento de Ciencia e Ingeniería de Materiales e Ingeniería Química, Universidad Carlos III, Av. Universidad 30, 28911 Leganés, Madrid, Spain
2. Center for Nanophase Materials Sciences and Computer Science &, Mathematics Division, Oak Ridge National Laboratory, P.O. Box 2008, MS6367, Oak Ridge, Tennessee 37831-6367, United States
3. Instituto de Microelectrónica de Madrid, IMM (CNM-CSIC), Newton 8, Tres Cantos, Spain
4. Departments of Physics and of Materials Science and Engineering and Materials Research Institute, The Pennsylvania State University, 104 Davey Lab, University Park, Pennsylvania 16802, United States.

We report a novel physicochemical route to produce highly crystalline nitrogen-doped graphene nanoribbons. The technique consists of an abrupt N2 gas expansion within the hollow core of nitrogen-doped multiwalled carbon nanotubes (CNx-MWNTs) when exposed to a fast thermal shock. The multiwalled nanotube unzipping mechanism is rationalized using molecular dynamics and density functional theory simulations, which highlight the importance of open-ended nanotubes in promoting the efficient introduction of N2 molecules by capillary action within tubes and surface defects, thus triggering an efficient and atomically smooth unzipping. The so-produced nanoribbons could be few-layered (from graphene bilayer onward) and could exhibit both crystalline zigzag and armchair edges. In contrast to methods developed previously, our technique presents various advantages: (1) the tubes are not heavily oxidized; (2) the method yields sharp atomic edges within the resulting nanoribbons; (3) the technique could be scaled up for the bulk production of crystalline nanoribbons from available MWNT sources; and (4) this route could eventually be used to unzip other types of carbon nanotubes or intercalated layered materials such as BN, MoS2, WS2, etc.

• Research Organization: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF)
• Sponsoring Organization: USDOE Office of Science
• OSTI ID: 1564833
• Journal Information: ACS Nano, Journal Name: ACS Nano Journal Issue: 3 Vol. 6; ISSN 1936-0851
• Publisher: American Chemical Society (ACS)
• Country of Publication: United States
• Language: English

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