Significant improvement in thermoelectric performance of SnSe/SnS via nano-heterostructures
文献信息
Zizhen Zhou, Qi Yao, Ning Qi, Zhiquan Chen
In this work, we study theoretically the electronic and phonon transport properties of heterojunction SnSe/SnS, bilayer SnSe and SnS. The energy filtering effect caused by the nano heterostructure in SnSe/SnS induces an increase in the Seebeck coefficient, causing a large power factor. We calculate the phonon relaxation time and lattice thermal conductivity κL for the three structures; the heterogeneous nanostructure could effectively reduce κL due to the enhanced phonon boundary scattering at interfaces. The average κL notably reduces from around 3.3 (3.2) W m−1 K−1 for bilayer SnSe (SnS) to nearly 2.2 W m−1 K−1 for SnSe/SnS at 300 K. As a result, the average ZT (ZTave in b and c directions) reaches 1.63 with temperature range around 300–800 K, which is improved by 63% (25%) compared with that of bilayer SnSe (SnS). Our theoretical results show that the heterogeneous nanostructure is an innovative approach for improving the Seebeck coefficient and significantly reducing κL, effectively enhancing thermoelectric properties.
相关文献
Electrochemical-surface enhanced Raman spectroscopy (E-SERS) of uric acid: a potential rapid diagnostic method for early preeclampsia detection
Barbara L. Goodall, Ashley M. Robinson, Christa L. Brosseau
DOI: 10.1039/C2CP42596C
Computation of DNP coupling factors of a nitroxide radical in toluene: seamless combination of MD simulations and analytical calculations
Deniz Sezer
DOI: 10.1039/C2CP42430D
Recent progress in the development and use of organic ionic plastic crystal electrolytes
Jennifer M. Pringle
DOI: 10.1039/C2CP43267F
Admittance of T-stub graphene nanoribbon structure
En-jia Ye, Wen-quan Sui, Xuean Zhao
DOI: 10.1039/C2CP42882B
Formation energy and photoelectrochemical properties of BiVO4 after doping at Bi3+ or V5+ sites with higher valence metal ions
Wenjun Luo, Jiajia Wang, Xin Zhao, Zongyan Zhao, Zhigang Zou
DOI: 10.1039/C2CP43408C
Ab initio study of the electrochemical H2SO4/Pt(111) interface
Aleix Comas-Vives, Jochen Bandlow, Timo Jacob
DOI: 10.1039/C2CP43054A
Relations between harmonic frequencies of diatomic molecules
Shilin Hou
DOI: 10.1039/C2CP43630B
Nanoparticle translocation through a lipid bilayer tuned by surface chemistry
Edroaldo Lummertz da Rocha, Giovanni Finoto Caramori, Carlos Renato Rambo
DOI: 10.1039/C2CP44035K
Assessment of atomic partial charge schemes for polarisation and charge transfer effects in ionic liquids
Jason Rigby, Ekaterina I. Izgorodina
DOI: 10.1039/C2CP42934A
CO2 capture in poly(ionic liquid) membranes: atomistic insight into the role of anions
Weijie Fang, Zhonglin Luo, Jianwen Jiang
DOI: 10.1039/C2CP42837G
您可能还喜欢
(3-氨苯基)环丙基甲酮(CAS号:162174-75-6)的主要用途是什么?
(3-氨苯基)环丙基甲酮主要用于合成化学中间体,特别是在药物化学领域作为原料。它还可以用于有机合成反应中,作为催化剂或反应物。
如何储存亚胺菌(CAS号:136470-79-6)?
亚胺菌应储存在干燥、阴凉处,避免直接暴露于光线下。建议使用密封容器储存,防止吸潮和污染。具体的储存条件应参考产品的安全数据表(MSDS)或药品说明书。
2-氯-2,2-二氟乙酰胺(CAS号:354-28-9)应用于哪些行业?
2-氯-2,2-二氟乙酰胺在医药、聚合物、传感器、半导体等领域有广泛应用。在医药领域,它作为中间体用于合成其他药物;在聚合物领域,用作聚合引发剂或稳定剂;在传感...
处理4-甲基-3-硝基-1,1-联苯(CAS号:53812-68-3)时应注意哪些实验室安全事项?
在处理4-甲基-3-硝基-1,1-联苯时,应佩戴手套、护目镜和实验室外套等个人防护装备(PPE),确保在通风橱中操作以减少吸入风险。若发生泄露,应立即使用沙子或...
(2S)-羟基(苯基)乙酸 (2R)-N-苄基-1-(4-甲氧基苯基)丙-2-胺盐(CAS号:188690-84-8)应用于哪些行业?
该化合物广泛应用于医药、聚合物和半导体行业。在医药领域,它是某些药物中间体的重要组成部分;在聚合物领域,可用作增塑剂;在半导体行业,可用于制造光刻胶。
在合成中是否有芬苯哒唑砜-D3标准品(CAS号:1228182-49-7)的替代品?
芬苯哒唑砜-D3标准品的替代品可能包括类似的苯并咪唑类化合物,如芬苯哒唑本身或其非同位素标记版本。这些替代品在结构上与芬苯哒唑砜-D3相似,但在具体应用中需进行...
2-氟-4-硝基苯乙酸(CAS号:315228-19-4)通常如何合成?
2-氟-4-硝基苯乙酸可以通过一系列化学反应合成,通常是从4-氟苯胺开始,首先进行硝化反应生成4-氟-2-硝基苯胺,然后进行乙酰化反应得到目标产物。具体的合成步...
2-氟-4-甲氧基苯乙酸(CAS号:883531-28-0)通常如何合成?
2-氟-4-甲氧基苯乙酸通常通过将4-甲氧基苯乙酸与氟化试剂(如氟化氰)反应来合成。反应通常在无水条件下进行,使用催化剂如六氟磷酸锂或四氟硼酸锂以提高选择性和产...
什么是4SC 202;4SC202(CAS号:1186222-89-8)?
4SC 202;4SC202是一种化学化合物,其化学名称为(2E)-N-(2-氨基苯基)-3-(1-{[4-(1-甲基-1H-吡唑-4-基)苯基]磺酰基}-1H...
来源期刊
Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.










![2-Methyl-2-propanyl [(2S)-1-hydroxy-3-(4-hydroxyphenyl)-2-propanyl]carbamate structure 2-Methyl-2-propanyl [(2S)-1-hydroxy-3-(4-hydroxyphenyl)-2-propanyl]carbamate structure](https://cnstatic.chemtradehub.com/structs/833/83345-46-4-eec2.webp)
![Benzyl spiro[indole-3,4'-piperidine]-1(2H)-carboxylate hydrochloride (1:1) structure Benzyl spiro[indole-3,4'-piperidine]-1(2H)-carboxylate hydrochloride (1:1) structure](https://cnstatic.chemtradehub.com/structs/159/159635-46-8-8de0.webp)


