Harnessing Topological Band Effects in Bismuth Telluride Selenide for Large Enhancements in Thermoelectric Properties through Isovalent Doping

Devender, -; Gehring, Pascal; Gaul, Andrew; Hoyer, Alexander; Vaklinova, Kristina; Mehta, Rutvik J.; Burghard, Marko; Borca‐Tasciuc, Theodorian; Singh, David J.; Kern, Klaus; Ramanath, Ganpati

doi:10.1002/adma.201601256

Cited by 56 publications

(36 citation statements)

References 35 publications

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“…An outstanding increase in the Seebeck coefficient is observed with a decrease in tilt angles for the hierarchical nanopillar arrays. The Seebeck coefficient value in the present work is much higher in comparison to the reported results of bismuth antimony telluride materials 12 , 23 – 25 , 27 – 31 . The reason for this greatly difference is the change in the microstructure compared to the reported structure.…”

Section: Resultscontrasting

confidence: 77%

“…It exhibits that a strikingly high average power factor of 5.76 mW/m·K 2 was obtained for the unique tilt-structure film between 30–200 °C, along with the maximum power factor value of 5.86 mW/m·K 2 at 30 °C, which also implies that the S 2 σ nearly remains constant with temperature. In contrast to Sb 2 Te 3 -based and Bi 2 Te 3 -based materials 12 , 23 – 25 , 27 – 31 , whose S 2 σ values increase or decrease as the temperature increases, the temperature stability of S 2 σ of the hierarchical Bi 1.5 Sb 0.5 Te 3 nanopillar array with a tilt angle of 45° are useful in practical use. It is clearly demonstrated that the hierarchical Bi 1.5 Sb 0.5 Te 3 nanopillar array with a tilt angle of 45° shows a largely enhanced power factor compared with the hierarchical nanopillar array with a tilt angle of 60° or 90° and previous results 29 – 32 .…”

Section: Resultsmentioning

confidence: 99%

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Tilt-structure and high-performance of hierarchical Bi1.5Sb0.5Te3 nanopillar arrays

Tan

Hao

Deng

et al. 2018

Sci Rep

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The uniquely tilted nanopillar array favorably influence carrier and phonon transport properties. We present an innovative interfacial design concept and a novel tilt-structure of hierarchical Bi1.5Sb0.5Te3 nanopillar array comprising unique interfaces from nano-scaled open gaps to coherent grain boundaries, and tilted nanopillars assembled by high-quality nanowires with well oriented growth, utilizing a simple vacuum thermal evaporation technique. The unusual structure Bi1.5Sb0.5Te3 nanopillar array with a tilt angle of 45° exhibits a high thermoelectric performance ZT = 1.61 at room temperature. The relatively high ZT value in contrast to that of previously reported Bi1.5Sb0.5Te3 materials and the Bi1.5Sb0.5Te3 nanopillar array with a tilt angle of 60° or 90° evidently reveals the crucial role of the unique interface and tilt-structure in favorably influencing carrier and phonon transport properties, resulting in a significantly improved ZT value. This method opens a new approach to optimize nano-structure film materials.

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Section: Resultscontrasting

confidence: 77%

Section: Resultsmentioning

confidence: 99%

Tilt-structure and high-performance of hierarchical Bi1.5Sb0.5Te3 nanopillar arrays

Tan

Hao

Deng

et al. 2018

Sci Rep

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“…Thus, it is a great deal of meaningful to devise strategies to simultaneously increase S and σ by tuning the charge carrier concentrations or the electronic band structure via low-dimensional solutions. Relative researches are rarely reported except the isovalent sulfur doped Bi 2 Te 2 Se nanoplates, the doping-induced multifold increase in the effective density of states contributes to simultaneous increase of S and σ 14 . The results successfully break the trade-off between parameters for nanostructured compounds, which will be a new insight into designing two dimensional (2D) high-performanced thermoelectric materials.…”

Section: Introductionmentioning

confidence: 99%

Thickness-controlled electronic structure and thermoelectric performance of ultrathin SnS2 nanosheets

Shen

et al. 2017

Sci Rep

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The thermoelectric conversion efficiency of a material relies on a dimensionless parameter (ZT = S 2 σT/κ). It is a great challenge in enhancing the ZT value basically due to that the related transport factors of most of the bulk materials are inter-conditioned to each other, making it very difficult to simultaneously optimize these parameters. In this report, the negative correlation between power factor and thermal conductivity of nano-scaled SnS2 multilayers is predicted by high-level first-principle computations combined with Boltzmann transport theory. By diminishing the thickness of SnS2 nanosheet to about 3 L, the S and σ along a direction simultaneously increase whereas κ decreases, achieving a high ZT value of 1.87 at 800 K. The microscopic mechanisms for this unusual negative correlation in nano-scaled two dimensional (2D) material are elucidated and attributed to the quantum confinement effect. The results may open a way to explore the high ZT thermoelectric nano-devices for the practical thermoelectric applications.

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“…However, a connection, though somewhat indirect, has been predicted and demonstrated by Singh and collaborators. 2,3 The key variable is the strength of SOC, which is large for heavy atoms, and the observation that in highly itinerant materials this strength can be varied quasi-continuously by isovalent doping. Substituting, say, Te with Se decreases the SOC strength, thereby tuning the band structure near the gap and adjusting both topological and thermoelectric properties.…”

Section: Introductionmentioning

confidence: 99%

Topological and thermoelectric properties of double antiperovskite pnictides

Goh

Pickett

2020

J. Phys.: Condens. Matter

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Doubling the perovskite cell (double perovskite) has been found to open new possibilities for engineering functional materials, magnetic materials in particular. This route should be applicable to the antiperovskite (aPV) class. In the pnictide based double aPV (2aPV) class introduced here magnetism is very rare, and we address them as new topological materials, possibly with thermoelectric interest. We have found that the 2aPV supercell provides a systematically larger band gap that can serve to inhibit bulk conductivity, and also large spin-orbit coupling (SOC) for band inversion. We present examples from a broad study of double antiperovskites focusing on the X6AA B2 configuration, where X is the alkaline earth element and A and B are the group 5A pnictogens. We find that an "extended s" state at the valence band minimum, described alternatively as a cation valence state or a modulated interstitial planewave state, plays a crucial role in both topological and thermoelectric properties. Several of these compounds may house topological phases, while transport calculations indicate they may also find themselves useful in thermoelectric applications. PACS numbers: arXiv:2004.00717v1 [cond-mat.mtrl-sci] 1 Apr 2020

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Harnessing Topological Band Effects in Bismuth Telluride Selenide for Large Enhancements in Thermoelectric Properties through Isovalent Doping

Cited by 56 publications

References 35 publications

Tilt-structure and high-performance of hierarchical Bi1.5Sb0.5Te3 nanopillar arrays

Tilt-structure and high-performance of hierarchical Bi1.5Sb0.5Te3 nanopillar arrays

Thickness-controlled electronic structure and thermoelectric performance of ultrathin SnS2 nanosheets

Topological and thermoelectric properties of double antiperovskite pnictides

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