The influence of Zn vacancy on thermal conductivity of β-Zn4Sb3: A molecular dynamics study

Zhai, Pengcheng; Li, Guodong; Wen, Pin; Li, Yao; Zhang, Qingjie; Liu, Lisheng

doi:10.1016/j.jssc.2012.03.062

Cited by 12 publications

(2 citation statements)

References 28 publications

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“…[12] In the β-Zn 4 Sb 3 system, earlier studies have shown that the presence of Zn vacancy (V Zn ) defects in the materials leads to exotic thermoelectric behavior. As reported, [13] an approximate increase of 0.3% vacancy defects, can decrease the lattice thermal conductivity to about 70%. These vacancy defects serve as the center for atom migration and create a disordered system.…”

mentioning

confidence: 53%

Defect and Dopant Mediated Thermoelectric Power Factor Tuning in β‐Zn₄Sb₃

Karthikeyan

Medasani

et al. 2020

Adv Elect Materials

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mentioning

confidence: 53%

Defect and Dopant Mediated Thermoelectric Power Factor Tuning in β‐Zn₄Sb₃

Karthikeyan

Medasani

et al. 2020

Adv Elect Materials

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“…Recent studies of β-Zn 4 Sb 3 focus on its structural complexity, including the diffusion and disordered channels of Zn atoms and localized dumbbell vibration of the Sb-Sb dimers in the β-Zn 4 Sb 3 . [104,105] There are four crystallographic structures of Zn 4 Sb 3 , which exist at different temperature ranges, i.e., the α 0 -phase (below 230 K), α-phase (230-263 K), β-phase (263-765 K), and γ-phase (765-837 K). [106][107][108] Among these four structures, only the β-Zn 4 Sb 3 fulfills the "phononglass electron-crystal [PGEC]" concept, which possesses low κ L % 0.4-0.6 W m À1 K À1 [100,101] and moderate σ.…”

Section: Zn 4 Sb 3 -Based Alloysmentioning

confidence: 99%

Eliciting High‐Performance Thermoelectric Materials via Phase Diagram Engineering: A Review

Deng

Yen

Tsai

et al. 2021

Adv Energy and Sustain Res

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Alongside the evolution of technology timeline, environmental protection and energy sustainability significantly guide the research feast toward the high-performance green energy resources and technologies. [1,2] Alternatives to the fossil fuels that emit harmful greenhouse gases become desired, in which the thermoelectric (TE) materials have played an inevitable role since the 1960s. [3] One of TE technology features is the waste heat recovery via the Seebeck effect, [4] which allows the conversion between thermal energy and electricity. Such a TE generator produces precious electrical energy from any arbitrary interfaces where a temperature gradient exists, simultaneously boosting energy usage efficiency while eases global warming.Many TE materials are being explored for power generation applications, such as GeTe, [5] PbTe, [6,7] Bi 2 Te 3 , [8] and silicides. [9] Moreover, the TE cooler, which utilizes the Peltier effect, [4] emerges as a vital spot-cooling device assembled by all-solid-state materials. With the advantages of refrigerant-free and size-minimization, the TE cooler exhibits the advantages of refrigerant-free and size-minimization, which can be used as the next-generation cooling technology. [10] After more than 60 years of development, the practical application and potential coverage of TE technology are comprehensive. Nevertheless, a TE material's thermal-to-electric efficiency is still required to be boosted. In general, the TE figure-of-merit zT ¼ ðS 2 σÞT=κ positively relates to the performance of TE materials, in which the S is the Seebeck coefficient, σ ¼ ρ À1 refers to the electrical conductivity, and κ ¼ κ e þ κ L þ κ b comprises the total thermal conductivity κ, lattice thermal conductivity κ, and bipolar thermal conductivity κ b , respectively. Most importantly, the S, σ, and κ e have the carrier concentration n H as a common factor, which correlates and depends on each other. Therefore, the counterbalance between the thermal and electrical transport properties is essential to attain high zT values, which could be fulfilled by band structure engineering, [11] carrier optimization, [12,13] filtering effect, [14] , and so on. In parallel, the reduction in κ L also paves the way toward highperformance TE materials, mainly accomplished by all-scale defect engineering [15] and alloying effect. [16] Those imperfections introduce multiscale roadblocks, such as the interstitial/ antisite defect, dislocations, nanoprecipitates, and grain boundaries, aiming to impede the phonons with different wavelengths.Countless efforts bring the breakthroughs of zT value in succession. The peak zT grows less than unity in the 1960s to greater than 2.5 after 2015, [17] whose progress is slow yet steadily. Complex TE materials with various dopants are the primary targets, while different approaches can be adopted. [18,19] The

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Effects of Disordered Atoms and Nanopores on Mechanical Properties of β-Zn4Sb3: a Molecular Dynamics Study

Yao

Zhang

et al. 2012

Journal of Elec Materi

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The influence of Zn vacancy on thermal conductivity of β-Zn4Sb3: A molecular dynamics study

Cited by 12 publications

References 28 publications

Defect and Dopant Mediated Thermoelectric Power Factor Tuning in β‐Zn₄Sb₃

Defect and Dopant Mediated Thermoelectric Power Factor Tuning in β‐Zn₄Sb₃

Eliciting High‐Performance Thermoelectric Materials via Phase Diagram Engineering: A Review

Effects of Disordered Atoms and Nanopores on Mechanical Properties of β-Zn4Sb3: a Molecular Dynamics Study

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The influence of Zn vacancy on thermal conductivity of β-Zn4Sb3: A molecular dynamics study

Cited by 12 publications

References 28 publications

Defect and Dopant Mediated Thermoelectric Power Factor Tuning in β‐Zn4Sb3

Defect and Dopant Mediated Thermoelectric Power Factor Tuning in β‐Zn4Sb3

Eliciting High‐Performance Thermoelectric Materials via Phase Diagram Engineering: A Review

Effects of Disordered Atoms and Nanopores on Mechanical Properties of β-Zn4Sb3: a Molecular Dynamics Study

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Defect and Dopant Mediated Thermoelectric Power Factor Tuning in β‐Zn₄Sb₃

Defect and Dopant Mediated Thermoelectric Power Factor Tuning in β‐Zn₄Sb₃