Tailored Synthesis of the Narrowest Zigzag Graphene Nanoribbon Structure by Compressing the Lithium Acetylide under High Temperature
[1];
[1];
- Center for High Pressure Science and Technology Advanced Research, Beijing (China)
- Argonne National Lab. (ANL), Argonne, IL (United States)
- Center for High Pressure Science and Technology Advanced Research, Beijing (China); Carnegie Institution of Washington, Washington, D.C. (United States)
- Chinese Academy of Sciences (CAS), Beijing (China); Collaborative Innovation Centre of Quantum Matter, Beijing (China)
Scientists are searching for the goal-directed methods to synthesize graphene nanoribbons (GNRs) with a particular edge type and width, which determines their electronic transport properties. A series of Li zigzag GNRs (ZGNRs) with different widths were predicted under high pressure with a stoichiometric ratio of Lin+1C2n, which indicates a route to prepare ultranarrow GNRs. Here, with thermodynamics and ab initio Gibbs free-energy calculations by quasi-harmonic approximation, we investigated the phase stabilities of the Li GNR compounds under high pressure and high temperature. We have also identified Li graphenide LiC2 (n = ∞) and Li polyacenide Li3C4 (n = 2) experimentally at the predicted pressure and temperature conditions using in situ X-ray diffraction, which can be recognized as the two end members of Lin+1C2n, with the widest and narrowest ZGNR structures. High temperature and the temperature gradient increased the degree of polymerization and facilitated the formation of wider GNR or carbon slices. Furthermore, this suggests that by controlling temperature and pressure, we may get ultranarrow Li ZGNRs composed of a limited number of parallel carbon chains, such as 3- or 4-zigzag GNR, which is ready to be protonated or functionalized to form atomically ordered ZGNRs.
- Research Organization:
- Argonne National Lab. (ANL), Argonne, IL (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE National Nuclear Security Administration (NNSA)
- Grant/Contract Number:
- AC02-06CH11357
- OSTI ID:
- 1484369
- Journal Information:
- Journal of Physical Chemistry. C, Vol. 122, Issue 35; ISSN 1932-7447
- Publisher:
- American Chemical SocietyCopyright Statement
- Country of Publication:
- United States
- Language:
- English
Web of Science
From Molecules to Carbon Materials—High Pressure Induced Polymerization and Bonding Mechanisms of Unsaturated Compounds
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journal | September 2019 |
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