In this work, we first systematically investigate the ballistic transport properties of armchair WSe2 nanoribbons by using first-principles method. An enhancement in thermoelectric figure of merit (ZT) is discovered from monolayer to nanoribbons. To explore the origin of the enhancement mechanism, H-passication is introduced into the systems to make a comparison. The introduction of H-passivation stabilizes the dangling bonds at the ribbon edge and reduces the enhancement. It comfirms our suspect that the enhancement may be contributed from the disorder edge effect owing to the existence of dangling bonds. Our work provides instructional theoretical evidence for the application of armchair WSe2 nanoribbons as promising thermoelectric materials. The enhancement mechanism of disorder edge effect can also highlight the exploration of achieving outstanding thermoelectric materials.
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ASME 2016 5th International Conference on Micro/Nanoscale Heat and Mass Transfer
January 4–6, 2016
Biopolis, Singapore
Conference Sponsors:
- Heat Transfer Division
ISBN:
978-0-7918-4965-1
PROCEEDINGS PAPER
WSe2 Nanoribbons: New High-Performance Thermoelectric Materials
Kai-Xuan Chen,
Kai-Xuan Chen
Sun Yat-sen University, Guangzhou, China
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Dong-Chuan Mo,
Dong-Chuan Mo
Sun Yat-sen University, Guangzhou, China
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Shu-Shen Lyu
Shu-Shen Lyu
Sun Yat-sen University, Guangzhou, China
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Kai-Xuan Chen
Sun Yat-sen University, Guangzhou, China
Dong-Chuan Mo
Sun Yat-sen University, Guangzhou, China
Shu-Shen Lyu
Sun Yat-sen University, Guangzhou, China
Paper No:
MNHMT2016-6329, V001T06A002; 5 pages
Published Online:
March 15, 2016
Citation
Chen, K, Mo, D, & Lyu, S. "WSe2 Nanoribbons: New High-Performance Thermoelectric Materials." Proceedings of the ASME 2016 5th International Conference on Micro/Nanoscale Heat and Mass Transfer. Volume 1: Micro/Nanofluidics and Lab-on-a-Chip; Nanofluids; Micro/Nanoscale Interfacial Transport Phenomena; Micro/Nanoscale Boiling and Condensation Heat Transfer; Micro/Nanoscale Thermal Radiation; Micro/Nanoscale Energy Devices and Systems. Biopolis, Singapore. January 4–6, 2016. V001T06A002. ASME. https://doi.org/10.1115/MNHMT2016-6329
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