|
|
|
|
| LEADER |
01000naa a22002652 4500 |
| 001 |
NLM343648539 |
| 003 |
DE-627 |
| 005 |
20231226020936.0 |
| 007 |
cr uuu---uuuuu |
| 008 |
231226s2022 xx |||||o 00| ||eng c |
| 024 |
7 |
|
|a 10.1021/acs.chemmater.2c00637
|2 doi
|
| 028 |
5 |
2 |
|a pubmed24n1145.xml
|
| 035 |
|
|
|a (DE-627)NLM343648539
|
| 035 |
|
|
|a (NLM)35844633
|
| 040 |
|
|
|a DE-627
|b ger
|c DE-627
|e rakwb
|
| 041 |
|
|
|a eng
|
| 100 |
1 |
|
|a Tippireddy, Sahil
|e verfasserin
|4 aut
|
| 245 |
1 |
0 |
|a Tin-Substituted Chalcopyrite
|b An n-Type Sulfide with Enhanced Thermoelectric Performance
|
| 264 |
|
1 |
|c 2022
|
| 336 |
|
|
|a Text
|b txt
|2 rdacontent
|
| 337 |
|
|
|a ƒaComputermedien
|b c
|2 rdamedia
|
| 338 |
|
|
|a ƒa Online-Ressource
|b cr
|2 rdacarrier
|
| 500 |
|
|
|a Date Revised 19.07.2022
|
| 500 |
|
|
|a published: Print-Electronic
|
| 500 |
|
|
|a Citation Status PubMed-not-MEDLINE
|
| 520 |
|
|
|a © 2022 The Authors. Published by American Chemical Society.
|
| 520 |
|
|
|a The dearth of n-type sulfides with thermoelectric performance comparable to that of their p-type analogues presents a problem in the fabrication of all-sulfide devices. Chalcopyrite (CuFeS2) offers a rare example of an n-type sulfide. Chemical substitution has been used to enhance the thermoelectric performance of chalcopyrite through preparation of Cu1-x Sn x FeS2 (0 ≤ x ≤ 0.1). Substitution induces a high level of mass and strain field fluctuation, leading to lattice softening and enhanced point-defect scattering. Together with dislocations and twinning identified by transmission electron microscopy, this provides a mechanism for scattering phonons with a wide range of mean free paths. Substituted materials retain a large density-of-states effective mass and, hence, a high Seebeck coefficient. Combined with a high charge-carrier mobility and, thus, high electrical conductivity, a 3-fold improvement in power factor is achieved. Density functional theory (DFT) calculations reveal that substitution leads to the creation of small polarons, involving localized Fe2+ states, as confirmed by X-ray photoelectron spectroscopy. Small polaron formation limits the increase in carrier concentration to values that are lower than expected on electron-counting grounds. An improved power factor, coupled with substantial reductions (up to 40%) in lattice thermal conductivity, increases the maximum figure-of-merit by 300%, to zT ≈ 0.3 at 673 K for Cu0.96Sn0.04FeS2
|
| 650 |
|
4 |
|a Journal Article
|
| 700 |
1 |
|
|a Azough, Feridoon
|e verfasserin
|4 aut
|
| 700 |
1 |
|
|a Vikram
|e verfasserin
|4 aut
|
| 700 |
1 |
|
|a Tompkins, Frances Towers
|e verfasserin
|4 aut
|
| 700 |
1 |
|
|a Bhui, Animesh
|e verfasserin
|4 aut
|
| 700 |
1 |
|
|a Freer, Robert
|e verfasserin
|4 aut
|
| 700 |
1 |
|
|a Grau-Crespo, Ricardo
|e verfasserin
|4 aut
|
| 700 |
1 |
|
|a Biswas, Kanishka
|e verfasserin
|4 aut
|
| 700 |
1 |
|
|a Vaqueiro, Paz
|e verfasserin
|4 aut
|
| 700 |
1 |
|
|a Powell, Anthony V
|e verfasserin
|4 aut
|
| 773 |
0 |
8 |
|i Enthalten in
|t Chemistry of materials : a publication of the American Chemical Society
|d 1998
|g 34(2022), 13 vom: 12. Juli, Seite 5860-5873
|w (DE-627)NLM098194763
|x 0897-4756
|7 nnns
|
| 773 |
1 |
8 |
|g volume:34
|g year:2022
|g number:13
|g day:12
|g month:07
|g pages:5860-5873
|
| 856 |
4 |
0 |
|u http://dx.doi.org/10.1021/acs.chemmater.2c00637
|3 Volltext
|
| 912 |
|
|
|a GBV_USEFLAG_A
|
| 912 |
|
|
|a SYSFLAG_A
|
| 912 |
|
|
|a GBV_NLM
|
| 912 |
|
|
|a GBV_ILN_11
|
| 912 |
|
|
|a GBV_ILN_350
|
| 951 |
|
|
|a AR
|
| 952 |
|
|
|d 34
|j 2022
|e 13
|b 12
|c 07
|h 5860-5873
|