{"title":"Influence of crystalline phase structure of rare earth oxides on active oxygen and basic sites","authors":"Jianping Fu , Xuefang Wen , Zhiyong Xu, Yongsheng Guo, Chunshan Ke, Junwei Xu","doi":"10.1016/j.solidstatesciences.2024.107738","DOIUrl":"10.1016/j.solidstatesciences.2024.107738","url":null,"abstract":"<div><div>Herein, the effects of crystalline phase structures of rare earth oxides on active oxygen and basic sites were investigated. The fluorite structure shows the best lattice oxygen mobility and redox properties due to its open structure and weakest Ln-O bond strength. For Pr<sub>6</sub>O<sub>11</sub> and Tb<sub>4</sub>O<sub>7</sub>, the presence of polyvalent cation states further enhances these properties. Based on the basicity and number of basic sites, the surfaces of A-type, B-type, and C-type lanthanide sesquioxides facilitate the generation of chemisorbed oxygen species in the following order: A-type > B-type > C-type. Furthermore, the basicity and amount of chemisorbed oxygen species are dependent on the electronegativity of rare earth elements, which decreases gradually from La to Lu. This is because from La<sub>2</sub>O<sub>3</sub> to Lu<sub>2</sub>O<sub>3</sub>, electrons are less biased toward oxygen, the basicity of lattice oxygen decreases, and fewer electrons are produced for gaseous oxygen activation and chemisorbed oxygen generation.</div></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"158 ","pages":"Article 107738"},"PeriodicalIF":3.4,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142572415","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Solid State SciencesPub Date : 2024-10-31DOI: 10.1016/j.solidstatesciences.2024.107737
Nataliya Muts, Yaroslav Tokaychuk, Roman Gladyshevskii
{"title":"Crystal structures of the R1.33Ni3Ga8 (R = Tb, Ho, Er, Tm, Lu) compounds","authors":"Nataliya Muts, Yaroslav Tokaychuk, Roman Gladyshevskii","doi":"10.1016/j.solidstatesciences.2024.107737","DOIUrl":"10.1016/j.solidstatesciences.2024.107737","url":null,"abstract":"<div><div>The existence of five new ternary compounds with Gd<sub>1.33</sub>Pt<sub>3</sub>Al<sub>8</sub>-type structure (Pearson symbol <em>hR</em>51, space group <em>R-</em>3<em>m</em>) was established by means of X-ray powder diffraction and energy-dispersive X-ray spectroscopy: Tb<sub>1.33</sub>Ni<sub>3</sub>Ga<sub>8</sub> (<em>а</em> = 4.2056(1), <em>с</em> = 37.8913(9) Å), Ho<sub>1.33</sub>Ni<sub>3</sub>Ga<sub>8</sub> (<em>а</em> = 4.19666(9), <em>с</em> = 37.7882(9) Å), Er<sub>1.33</sub>Ni<sub>3</sub>Ga<sub>8</sub> (<em>a =</em> 4.19290(8), <em>c =</em> 37.7446(8) Å), Tm<sub>1.33</sub>Ni<sub>3</sub>Ga<sub>8</sub> (<em>a =</em> 4.18819(7), <em>c =</em> 37.6980(7) Å), and Lu<sub>1.33</sub>Ni<sub>3</sub>Ga<sub>8</sub> (<em>a =</em> 4.1826(1), <em>c =</em> 37.647(1) Å). The structures of the ternary <em>R</em><sub>1.33</sub>Ni<sub>3</sub>Ga<sub>8</sub> compounds belong to a family of linear-intergrowth structures with the general formula <em>R</em><sub>0.67</sub><em>T</em><sub><em>n</em></sub><em>M</em><sub>2<em>n</em> + <em>m</em></sub> and are built from atom layers of the composition <em>R</em><sub>0.67</sub>Ga (<em>R</em><sub>0.67</sub><em>M</em>), separated by single or double NiGa<sub>2</sub> slabs (<em>TM</em><sub>2</sub>). The layers containing the rare-earth metal atoms are characterized by a disordered distribution of rare-earth metal atoms and Ga-atom triangles.</div></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"158 ","pages":"Article 107737"},"PeriodicalIF":3.4,"publicationDate":"2024-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142572434","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Syntheses and some properties of solid solution Yb(Al,T)B4 (T = Mo or W) compounds","authors":"Kaoru Kouzu , Shigeru Okada , Takeshi Hagiwara , Akiko Nomura , Kunio Yubuta , Takao Mori , Toetsu Shishido , Akira Yoshikawa","doi":"10.1016/j.solidstatesciences.2024.107735","DOIUrl":"10.1016/j.solidstatesciences.2024.107735","url":null,"abstract":"<div><div><em>R</em>AlB<sub>4</sub> (<em>R</em> = rare earth element) has attracted increasing attention due to recent reports on its properties in magnetic, thermoelectric and superconducting materials. The authors developed and we investigated the formation of the solid solution Yb(Al<sub>0.995</sub><em>T</em><sub>0.005</sub>)B<sub>4</sub> (<em>T</em> = Cr, Mn or Fe) compounds in which the Al position of YbAlB<sub>4</sub> is substituted with <em>T</em> atoms using the Al flux method. In this study, crystals of the boride Yb(Al<sub>0.995</sub><em>T</em><sub>0.005</sub>)B<sub>4</sub> (<em>T</em> = Mo or W) were grown by using Al flux mixed with <em>T</em> metal at 1773 K for 5h. Yb(Al<sub>0.995</sub>W<sub>0.005</sub>)B<sub>4</sub> was obtained as the single phase, however, in the case of Yb(Al<sub>0.995</sub>Mo<sub>0.005</sub>)B<sub>4</sub>, a small amount of AlMoB crystals was contained. The crystals were measured using a micro-Vickers hardness tester, and the oxidation resistance was examined in air using DTA-TG apparatus. Comparing the lattice constants and chemical composition of YbAlB<sub>4</sub> and Yb(Al<sub>0.995</sub><em>T</em><sub>0.005</sub>)B<sub>4</sub>, it were understood that the lattice constant of Yb(Al,<em>T</em>)B<sub>4</sub> were larger than that of YbAlB<sub>4</sub> crystals. Yb(Al,<em>T</em>)B<sub>4</sub> were grown as a solid solution contained about 40 % of each <em>T</em> metal. The hardness values were 11.0(±0.7) GPa for Yb(Al<sub>0.995</sub>Mo<sub>0.005</sub>)B<sub>4</sub> and 15.7(±1.9) GPa for Yb(Al<sub>0.995</sub>W<sub>0.005</sub>)B<sub>4</sub>. The oxidation of Yb(Al,<em>T</em>)B<sub>4</sub> starts in the range of 971–987 K. The oxidation onset temperature during the heating of Yb(Al,<em>T</em>)B<sub>4</sub> is about 100 K higher than YbAlB<sub>4</sub>.</div></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"158 ","pages":"Article 107735"},"PeriodicalIF":3.4,"publicationDate":"2024-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142662228","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Solid State SciencesPub Date : 2024-10-30DOI: 10.1016/j.solidstatesciences.2024.107736
Karolina Podgórska , Damian Rybicki , Lan Maria Tran , Wojciech Tabiś , Łukasz Gondek , Michał Babij
{"title":"Synthesis of europium-based crystals containing As or P by a flux method: Attempts to grow EuAgP single crystals","authors":"Karolina Podgórska , Damian Rybicki , Lan Maria Tran , Wojciech Tabiś , Łukasz Gondek , Michał Babij","doi":"10.1016/j.solidstatesciences.2024.107736","DOIUrl":"10.1016/j.solidstatesciences.2024.107736","url":null,"abstract":"<div><div>Europium-based materials are highly attractive due to their diverse range of physical properties. In these studies, we aimed to synthesize single crystals of the potentially topological semimetallic compound EuAgP, which up to this day has only been obtained in polycrystalline form. The flux method was employed for the syntheses, using fluxes such as: Bi, Sn, Pb, and In, in their various ratios. The purpose of using Bi flux was to try synthesizing an analog of EuAgAs single crystals, by fully substituting arsenic with phosphorus. The obtained crystals were characterized by x-ray diffraction and scanning electron microscopy. Despite many unsuccessful attempts to synthesize EuAgP single crystals, the study provides valuable insights into how different fluxes and their ratios influence the final synthesis product. It also underscores the complexity of designing analogs between arsenides and phosphides.</div></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"158 ","pages":"Article 107736"},"PeriodicalIF":3.4,"publicationDate":"2024-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142572416","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Solid State SciencesPub Date : 2024-10-30DOI: 10.1016/j.solidstatesciences.2024.107734
Zhihao Wang , Huiwei Ding , Qiaofeng Han
{"title":"Unexpectedly high degradation efficiency for MB on Bi3O4Br photocatalyst obtained from bismuth citrate","authors":"Zhihao Wang , Huiwei Ding , Qiaofeng Han","doi":"10.1016/j.solidstatesciences.2024.107734","DOIUrl":"10.1016/j.solidstatesciences.2024.107734","url":null,"abstract":"<div><div>For the first time, pure Bi<sub>3</sub>O<sub>4</sub>Br with a uniform square sheet-like structure was synthesized using a hydrothermal method at 180 °C and pH of 12.5 by employing bismuth citrate as the bismuth source without any surfactant. The photocatalytic activity of Bi<sub>3</sub>O<sub>4</sub>Br for the degradation of methylene blue (MB), tetracycline (TC), methyl violet (MV), and rhodamine B (RhB) was evaluated under visible light illumination and the results showed that the as-prepared Bi<sub>3</sub>O<sub>4</sub>Br exhibited excellent photodegradation efficiency for MB with an apparent rate constant (<em>k</em><sub>a</sub>) of 0.02676 min<sup>−1</sup>, superior to TC, MV and RhB with <em>k</em><sub>a</sub> = 0.00899 min<sup>−1</sup>, 0.00073 min<sup>−1</sup> and 0.00409 min<sup>−1</sup>, respectively. Since the direct oxidation of the holes predominates in the degradation process, the study on the photocatalytic mechanism suggested that a more positive valence band (VB) potential of Bi<sub>3</sub>O<sub>4</sub>Br than HOMO orbital position of MB was prerequisite and also, the smaller the difference between VB potential of a photocatalyst and HOMO energy level of a pollutant, the faster the migration of the holes and subsequent oxidation of pollutant.</div></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"158 ","pages":"Article 107734"},"PeriodicalIF":3.4,"publicationDate":"2024-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142552300","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Solid State SciencesPub Date : 2024-10-29DOI: 10.1016/j.solidstatesciences.2024.107727
I. Turek
{"title":"Intrinsic spin currents in bulk noncentrosymmetric ferromagnets","authors":"I. Turek","doi":"10.1016/j.solidstatesciences.2024.107727","DOIUrl":"10.1016/j.solidstatesciences.2024.107727","url":null,"abstract":"<div><div>Intrinsic spin currents are encountered in noncentrosymmetric crystals without any external electric fields; these currents are caused by spin–orbit interaction. In this paper, various theoretical aspects of this phenomenon in bulk ferromagnets are studied by using group theory, perturbation expansion, and calculations for model and real systems. The group-theoretical analysis of the spin-current tensor shows that the absence of space-inversion symmetry is not a sufficient condition for appearance of the intrinsic spin currents. The perturbation expansion proves that in the regime of exchange splitting dominating over spin–orbit interaction, the spin polarization of the intrinsic currents is nearly perpendicular to the direction of magnetization. First-principles calculations are carried out for NiMnSb and CoMnFeSi ferromagnetic compounds, both featured by a tetrahedral crystallographic point group. The dependence of the spin-current tensor on the direction of magnetization is approximated by a simple quadratic formula containing two constants; the relative error of this approximation is found as small as a few percent for both compounds.</div></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"158 ","pages":"Article 107727"},"PeriodicalIF":3.4,"publicationDate":"2024-10-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142572417","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Formation and characterization of Mn-Bi-Al ternary alloys of enhanced magnetic performance in MnBi/Al composites","authors":"Thanit Saisopa , Wutthigrai Sailuam , Puttamawan Juntree , Hideki Nakajima , Ratchadaporn Supruangnet , Denis Céolin , Supree Pinitsoontorn , Chitnarong Sirisathitkul , Prayoon Songsiriritthigul , Narasak Pandech , Tanachat Eknapakul","doi":"10.1016/j.solidstatesciences.2024.107730","DOIUrl":"10.1016/j.solidstatesciences.2024.107730","url":null,"abstract":"<div><div>Low-temperature phase manganese bismuth (LTP-MnBi) and a series of aluminum (Al) composites were synthesized using a potentially facile and scalable low-temperature liquid-phase sintering method in a vacuum at 300 °C. The incorporation of up to 10 at% Al led to a significant enhancement in coercivity (H<sub>c</sub>), increasing from 2.32 ± 0.04 to 4.15 ± 0.07 kOe, while saturation magnetization showed a slight decrease of less than 3 %. However, beyond this concentration, a dramatic reduction in H<sub>c</sub> was observed. The density of the freshly compacted powders, which included up to 10 at% Al, remained relatively constant at 7.47–7.58 g/cm³ but decreased with excess Al. A maximum energy product (BH)<sub>max</sub> of 1 MGOe was achieved in the fresh sample, with a 16 % enhancement in (BH)<sub>max</sub> in the MnBi composite containing 5 at% Al. Scanning electron microscopy revealed distinct MnBi and Bi-rich regions, while Al-rich areas became prominent at Al concentrations above 10 at%. Energy dispersive spectroscopy confirmed that only 3–5 at% Al could be effectively incorporated into Mn-Bi regions, with excess Al unevenly distributed on the surface. X-ray photoelectron spectroscopy indicated the formation of Al, Al₂O₃, and potential Mn-Bi-Al ternary alloys. Additionally, slab-DFT models, such as AlMn/MnBi, indicate that Al inclusion enhances the magnetization in MnBi composites, providing insights into its effects on the magnetic properties of Mn-Bi systems. These findings offer promising strategies to address the challenges posed by excess Bi in the MnBi structure, potentially optimizing the magnetic performance of similar non-magnetic or soft-magnetic composite systems.</div></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"157 ","pages":"Article 107730"},"PeriodicalIF":3.4,"publicationDate":"2024-10-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142527504","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Solid State SciencesPub Date : 2024-10-23DOI: 10.1016/j.solidstatesciences.2024.107732
Hai-Feng Nie , Ying-Hua Liang , Jihoon Park , Tian-Hong Zhou , Bao-Chao Zhang , Ping-Zhan Si , Xing Zheng , Youngwoon Song , Chul-Jin Choi , Qiong Wu
{"title":"Large coercivity and enhanced magnetization in La-substituted Sm6Mn23 alloys","authors":"Hai-Feng Nie , Ying-Hua Liang , Jihoon Park , Tian-Hong Zhou , Bao-Chao Zhang , Ping-Zhan Si , Xing Zheng , Youngwoon Song , Chul-Jin Choi , Qiong Wu","doi":"10.1016/j.solidstatesciences.2024.107732","DOIUrl":"10.1016/j.solidstatesciences.2024.107732","url":null,"abstract":"<div><div>The magnetic properties of Sm<sub>6</sub>Mn<sub>23</sub>-based alloys are still not fully understood for their high complexity in magnetic and crystallographic structures. This work presents studies of the structure and magnetic properties of Sm<sub>6</sub>Mn<sub>23</sub> and Sm<sub>5</sub>LaMn<sub>23</sub> alloys. The results show that both the binary and La-substituted ternary alloys crystallize in a cubic Th<sub>6</sub>Mn<sub>23</sub> type structure (Fm-3m) with trace amount of Mn impurities. The lattice parameter of Sm<sub>5</sub>LaMn<sub>23</sub> is slightly larger than that of Sm<sub>6</sub>Mn<sub>23</sub>. The Curie temperature of Sm<sub>5</sub>LaMn<sub>23</sub> is ∼403 K, which is lower than that of Sm<sub>6</sub>Mn<sub>23</sub>. A field-dependent magnetic transition was observed in Sm<sub>5</sub>LaMn<sub>23</sub>, which shows a decreasing temperature at which Sm<sub>5</sub>LaMn<sub>23</sub> exhibiting maximal magnetization with increasing field, indicating a suppression of the antiferromagnetic coupling of the rare earth and Mn moments under applied field. Large coercivities up to 0.74 T and 1.2 T are observed in Sm<sub>5</sub>LaMn<sub>23</sub> bulk alloys and powders, respectively. The saturate magnetization, the remanent magnetization, and the coercivity of Sm<sub>5</sub>LaMn<sub>23</sub> at 5 K are much higher than that of Sm<sub>6</sub>Mn<sub>23</sub>. The ball-milled Sm<sub>5</sub>LaMn<sub>23</sub> powders exhibit significantly enhanced coercivity and magnetization. The refinement of the grain size during ball-milling results in the enhanced coercivity. The magnetic purification of the powders and possible local ferromagnetic configuration of the surface Mn atoms may result in the enhanced magnetization.</div></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"157 ","pages":"Article 107732"},"PeriodicalIF":3.4,"publicationDate":"2024-10-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142527771","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Phase stability of solid solution La1-xRxRh3B (R = Gd, Lu and Sc) compounds with cubic anti-perovskite type structure","authors":"Kunio Yubuta , Akiko Nomura , Kaoru Kouzu , Takao Mori , Shigeru Okada , Toetsu Shishido","doi":"10.1016/j.solidstatesciences.2024.107731","DOIUrl":"10.1016/j.solidstatesciences.2024.107731","url":null,"abstract":"<div><div>We have investigated the solid solution range of single phase La<sub>1-<em>x</em></sub><em>R</em><sub><em>x</em></sub>Rh<sub>3</sub>B (<em>R</em> = Gd, Lu and Sc) compounds with a cubic anti-perovskite type structure. The behaviors of lattice parameters, hardness, and thermogravimetry–differential thermal analysis (TG-DTA) were also investigated. The cubic anti-perovskite phase exists over the entire composition range <em>x</em> from 0.0 to 1.0 for all La-Gd, La-Lu and La-Sc systems. Both the lattice parameters and the hardness in all La-Gd, La-Lu and La-Sc systems show a linear dependence on the degree of the substitution <em>x</em> of La atom. The results of TG-DTA measurements indicate that oxidation of the compounds in air begins at about 500–600 K. The mixed phases of <em>R</em>BO<sub>3</sub>, <em>R</em><sub>2</sub>O<sub>3</sub> and Rh are identified as oxidized products around <em>x</em> = 0.4 to 0.6 composition. The oxidation onset temperature, and weight gains due to the oxidation depend on the degree of substitution <em>x</em>. The behavior of crystallographic and physical/chemical properties in the present compounds La<sub>1-<em>x</em></sub><em>R</em><sub><em>x</em></sub>Rh<sub>3</sub>B strongly depend on the atomic size of the rare-earth atoms that form the cubic framework.</div></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"158 ","pages":"Article 107731"},"PeriodicalIF":3.4,"publicationDate":"2024-10-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142552195","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Solid State SciencesPub Date : 2024-10-23DOI: 10.1016/j.solidstatesciences.2024.107729
Abhigyan Ojha, Sivaiah Bathula
{"title":"Achieving enhanced power factor using dual substitution at Cu and S sites in tetrahedrites thermoelectric materials Cu12Sb4S13","authors":"Abhigyan Ojha, Sivaiah Bathula","doi":"10.1016/j.solidstatesciences.2024.107729","DOIUrl":"10.1016/j.solidstatesciences.2024.107729","url":null,"abstract":"<div><div>Thermoelectric (TE) materials-based devices are valuable for translating heat into electricity, but the cost is largely driven by the use of purified metals required for efficient TE performance. This study focuses on tetrahedrite materials, which are cost-effective due to their abundance in copper ore mining waste and status as one of the most widespread sulfosalts on Earth. The research investigates the effects of co-doping and iso-valent doping on the TE properties of p-type tetrahedrite samples, specifically Cu<sub>10</sub>Mn<sub>2</sub>Sb<sub>4</sub>S<sub>11</sub>Se<sub>2</sub> (Sample A) and Cu<sub>10</sub>MnZnSb₄S<sub>11</sub>Se<sub>2</sub> (Sample B). These samples were synthesized using hot pressing at 773 K and compared with the existing pristine compound (Cu<sub>10</sub>Mn<sub>2</sub>Sb<sub>4</sub>S<sub>13</sub>). Doping with Mn and Zn (1:1) at the Cu site was found to optimize carrier concentration and enhance phonon scattering, leading to an improved power factor. Additionally, the Se substitution at the S site also introduced band degeneracy, further increasing the power factor. Further, sample B exhibited the highest Seebeck coefficient (∼300 μV/K) at 650 K, in comparison to Sample A (∼225 μV/K) and the pristine compound (∼250 μV/K). On the other hand, Sample A demonstrated significantly higher electrical conductivity (∼0.76 × 10⁴ S/m at 650 K), ∿ three times greater than that of the other prepared samples. Notably, the power factor of Sample A (∼0.389 mW/mK<sup>2</sup> at 650 K) was more than twice that of Sample B (∼0.141 mW/mK<sup>2</sup>) and the pristine compound (∼0.160 mW/mK<sup>2</sup>). These findings suggest that dual-site substitution at the Cu and S positions presents a promising strategy to augment the TE performance of tetrahedrite compounds.</div></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"157 ","pages":"Article 107729"},"PeriodicalIF":3.4,"publicationDate":"2024-10-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142527509","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}