期刊
PHYSICAL REVIEW B
卷 83, 期 23, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.83.235426
关键词
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资金
- French Agency ANR [NANOSIM_GRAPHENE (ANR-09-NANO-016)]
- Vietnam's National Foundation for Science and Technology Development [103.02-2010.33]
Strongly enhanced thermoelectric properties are predicted for graphene nanoribbons (GNRs) with optimized pattern. By means of nonequilibrium Green's function atomistic simulation of electron and phonon transport, we analyze the thermal and electrical properties of perfect GNRs as a function of their width and their edge orientation to identify a strategy likely to degrade the thermal conductance while retaining high electronic conductance and thermopower. An effect of resonant tunneling of electrons is detected in mixed GNRs consisting of alternate zigzag and armchair sections. To fully benefit from this effect and from strongly reduced phonon thermal conductance, a structure with armchair and zigzag sections of different widths is proposed. It is shown to provide a high thermoelectric factor of merit ZT exceeding unity at room temperature.
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