Enhancing the electrical transport properties of two-dimensional semiconductors through interlayer interactions

文献情報

出版日 2023-11-23

DOI 10.1039/D3EE03454B

インパクトファクター 38.532

著者

Shihao Han, Mingjia Yao, David J. Singh, Huijun Liu

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要旨

Thermoelectric materials attract great attention due to promising applications in refrigeration and waste heat recovery. Strategies based on band engineering have been proposed to identify new thermoelectric materials with high electrical transport performance. These approaches typically seek enhancement of the Seebeck coefficient via sharp changes in the electronic density of states near the Fermi level. Here, we emphasize a long-overlooked approach for enhancing the Seebeck coefficient through manipulation of the electronic group velocity. This can be realized through the interlayer interactions in two-dimensional materials. We construct numerous bilayers in a high-throughput manner. It is found that interlayer interactions universally introduce significant changes in the energy bands. Among the 129 isotropic systems, 34 of the bilayers exhibit higher power factors compared with the corresponding monolayers. Importantly, the improvement of the power factors and Seebeck coefficients in the As2I6, Sb2I6, and MoSe2 bilayers is due to increased electronic group velocity, contrary to the paradigm where sharper electronic densities of states favor thermoelectric performance. Our work not only illustrates the use of interlayer interactions for tuning the band structures of thermoelectric materials, but also highlights the vital importance of the group velocity for simultaneously enhancing the Seebeck coefficient and electrical conductivity.

掲載誌

Energy & Environmental Science

CiteScore: 32.34

自己引用率: 3.4%

年間論文数: 481

Energy & Environmental Science is an international journal dedicated to publishing exceptionally important and high quality, agenda-setting research tackling the key global and societal challenges of ensuring the provision of energy and protecting our environment for the future. The scope is intentionally broad and the journal recognises the complexity of issues and challenges relating to energy conversion and storage, alternative fuel technologies and environmental science. For work to be published it must be linked to the energy-environment nexus and be of significant general interest to our community-spanning readership. All scales of studies and analysis, from impactful fundamental advances, to interdisciplinary research across the (bio)chemical, (bio/geo)physical sciences and chemical engineering disciplines are welcomed. Topics include, but are not limited to, the following: Solar energy conversion and photovoltaics Solar fuels and artificial photosynthesis Fuel cells Hydrogen storage and (bio) hydrogen production Materials for energy systems Capture, storage and fate of CO2, including chemicals and fuels from CO2 Catalysis for a variety of feedstocks (for example, oil, gas, coal, biomass and synthesis gas) Biofuels and biorefineries Materials in extreme environments Environmental impacts of energy technologies Global atmospheric chemistry and climate change as related to energy systems Water-energy nexus Energy systems and networks Globally applicable principles of energy policy and techno-economics