Pub Date : 2025-02-18DOI: 10.1016/j.solidstatesciences.2025.107865
Elena A. Asabina , Anna I. Zhukova , Vladislav A. Sedov , Vladimir I. Pet'kov , Diana A. Osaulenko , Ekaterina B. Markova , Diana G. Fukina , Vitalii A. Koshkin
The study is dedicated to the investigation of the catalytic properties of Ti2(PO4)3 (M − La, Sm, Dy) phosphates in ethanol conversion reactions. The powder samples of the NASICON-type phosphates were synthesized by the Pechini technique. Their phase purity and structure characterization were performed using XRD, IR spectroscopy, SEM, BET and BJH methods. Structural data indicated that the transition from La to Dy was accompanied by a decrease in M − O bond lengths, which is compensated by longer neighboring Ti–O bonds, ultimately leading to greater distortion of the surrounding octahedra. The catalytic activity of M0.33Ti2(PO4)3 (M − La, Sm, Dy) phosphates has been studied in ethanol reforming reactions in the temperature range of 240–400 °C. The regularities of changes in the catalytic properties in the La→Sm→Dy series have been traced. The selectivity of ethanol conversion was found to depend on the phosphate composition. The best alcohol conversion was achieved on Dy-phosphate at 400 °C with an ethylene selectivity of 66 %.
{"title":"Catalytic characteristics of NASICON-type phosphates with rare earth elements in ethanol conversion","authors":"Elena A. Asabina , Anna I. Zhukova , Vladislav A. Sedov , Vladimir I. Pet'kov , Diana A. Osaulenko , Ekaterina B. Markova , Diana G. Fukina , Vitalii A. Koshkin","doi":"10.1016/j.solidstatesciences.2025.107865","DOIUrl":"10.1016/j.solidstatesciences.2025.107865","url":null,"abstract":"<div><div>The study is dedicated to the investigation of the catalytic properties of <span><math><mrow><msubsup><mi>M</mi><mn>0.33</mn><mrow><mn>3</mn><mo>+</mo></mrow></msubsup></mrow></math></span> Ti<sub>2</sub>(PO<sub>4</sub>)<sub>3</sub> (M − La, Sm, Dy) phosphates in ethanol conversion reactions. The powder samples of the NASICON-type phosphates were synthesized by the Pechini technique. Their phase purity and structure characterization were performed using XRD, IR spectroscopy, SEM, BET and BJH methods. Structural data indicated that the transition from La to Dy was accompanied by a decrease in M − O bond lengths, which is compensated by longer neighboring Ti–O bonds, ultimately leading to greater distortion of the surrounding octahedra. The catalytic activity of M<sub>0.33</sub>Ti<sub>2</sub>(PO<sub>4</sub>)<sub>3</sub> (M − La, Sm, Dy) phosphates has been studied in ethanol reforming reactions in the temperature range of 240–400 °C. The regularities of changes in the catalytic properties in the La→Sm→Dy series have been traced. The selectivity of ethanol conversion was found to depend on the phosphate composition. The best alcohol conversion was achieved on Dy-phosphate at 400 °C with an ethylene selectivity of 66 %.</div></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"162 ","pages":"Article 107865"},"PeriodicalIF":3.4,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143445392","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}
Pub Date : 2025-02-14DOI: 10.1016/j.solidstatesciences.2025.107864
Tingting Yan, Han Li, Dongyang Xi, Linan Liu, Dinghan Jin, Lei Sun
We synthesized the energetic molecular perovskite DAI-1 (C48H112I24N16Na8O96) and investigated its behavior under high pressure using high-pressure Raman spectroscopy. DAI-1 exhibits an ABX3 cubic perovskite structure, with significant changes in its Raman spectrum occurring between 4.3 and 7.1 GPa, signaling a phase transition. Releasing the pressure after applying it up to 12.3 GPa showed that the Raman spectrum did not return to its original state, indicating an irreversible phase transition. Furthermore, we conducted simulations to analyze the trend of changes in the crystal structure under pressure. This study serves as a reference for in-depth research on the high-pressure behavior of DAI-1 and other related substances.
{"title":"Synthesis and pressure-induced structural phase transition of energetic molecular perovskite DAI-1","authors":"Tingting Yan, Han Li, Dongyang Xi, Linan Liu, Dinghan Jin, Lei Sun","doi":"10.1016/j.solidstatesciences.2025.107864","DOIUrl":"10.1016/j.solidstatesciences.2025.107864","url":null,"abstract":"<div><div>We synthesized the energetic molecular perovskite DAI-1 (C<sub>48</sub>H<sub>112</sub>I<sub>24</sub>N<sub>16</sub>Na<sub>8</sub>O<sub>96</sub>) and investigated its behavior under high pressure using high-pressure Raman spectroscopy. DAI-1 exhibits an ABX<sub>3</sub> cubic perovskite structure, with significant changes in its Raman spectrum occurring between 4.3 and 7.1 GPa, signaling a phase transition. Releasing the pressure after applying it up to 12.3 GPa showed that the Raman spectrum did not return to its original state, indicating an irreversible phase transition. Furthermore, we conducted simulations to analyze the trend of changes in the crystal structure under pressure. This study serves as a reference for in-depth research on the high-pressure behavior of DAI-1 and other related substances.</div></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"162 ","pages":"Article 107864"},"PeriodicalIF":3.4,"publicationDate":"2025-02-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143429086","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}
Pub Date : 2025-02-13DOI: 10.1016/j.solidstatesciences.2025.107863
Raul Oliveira , Cláudio Remédios
In the present work, the crystal of L-asparagine monohydrate (C4H8N2O3.H2O) was studied at high temperatures by thermal analysis and synchrotron X-ray diffraction. Two structural transformations (dehydration and decomposition) are briefly discussed. L-asparagine monohydrate exhibits anisotropic thermal expansion, as it is more intense along the b-axis. This crystal has an even more interesting effect, a negative thermal expansion along the a-axis in the range of 311–358 K. Thermal expansions were analyzed from the anisotropic atomic displacement parameters using the rigid body model. The behavior of the translation and libration tensors indicate positive expansions along the hydrogen bonds that connect the molecular chains in the b x c plane, as well as a negative thermal expansion along the hydrogen bond transverse to the this plane.
{"title":"L-asparagine monohydrate at high temperatures: transformations and negative thermal expansion. A study by thermal analysis and synchrotron X-ray diffraction","authors":"Raul Oliveira , Cláudio Remédios","doi":"10.1016/j.solidstatesciences.2025.107863","DOIUrl":"10.1016/j.solidstatesciences.2025.107863","url":null,"abstract":"<div><div>In the present work, the crystal of L-asparagine monohydrate (C<sub>4</sub>H<sub>8</sub>N<sub>2</sub>O<sub>3</sub>.H<sub>2</sub>O) was studied at high temperatures by thermal analysis and synchrotron X-ray diffraction. Two structural transformations (dehydration and decomposition) are briefly discussed. L-asparagine monohydrate exhibits anisotropic thermal expansion, as it is more intense along the b-axis. This crystal has an even more interesting effect, a negative thermal expansion along the a-axis in the range of 311–358 K. Thermal expansions were analyzed from the anisotropic atomic displacement parameters using the rigid body model. The behavior of the translation and libration tensors indicate positive expansions along the hydrogen bonds that connect the molecular chains in the <em>b x c</em> plane, as well as a negative thermal expansion along the hydrogen bond transverse to the this plane.</div></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"162 ","pages":"Article 107863"},"PeriodicalIF":3.4,"publicationDate":"2025-02-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143429085","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}
Carbon nanocages (CNCs) are promising materials for catalysis, filtration and electrochemistry. This work is devoted to the experimental and theoretical study of the magnetic properties of both pure CNCs and those encapsulated by transition metals Ni and Co. This study presents high-resolution transmission electron microscopy (HR-TEM) images of the homogeneous composite consisting of Co particles with a diameter of 3–5 nm coated with one or more layers of graphitized carbon. We also present HR-TEM images of hollow nanocages obtained after the complete etching of the metal with acid. The coercivity of the homogeneous composites (Ni and Co encapsulated) exhibited a rapid decrease below 50 K, while in the temperature range of 50–350 K, pronounced superparamagnetic properties are observed. On the other hand, in the etched material consisting of hollow carbon cages, the contribution of the diamagnetism of the carbon fraction increases with temperature. Theoretical estimates of saturation magnetization of metal nanoparticles and the electronic diamagnetic susceptibility of the carbon spheres are consistent with the experimental results.
{"title":"Magnetic properties of carbon nanocages: Pure and with the Ni or Co inclusions","authors":"K.B. Tsiberkin , A.V. Sosunov , V.V. Govorina , D.S. Neznakhin , V.K. Henner , G. Sumanasekera","doi":"10.1016/j.solidstatesciences.2025.107862","DOIUrl":"10.1016/j.solidstatesciences.2025.107862","url":null,"abstract":"<div><div>Carbon nanocages (CNCs) are promising materials for catalysis, filtration and electrochemistry. This work is devoted to the experimental and theoretical study of the magnetic properties of both pure CNCs and those encapsulated by transition metals Ni and Co. This study presents high-resolution transmission electron microscopy (HR-TEM) images of the homogeneous composite consisting of Co particles with a diameter of 3–5 nm coated with one or more layers of graphitized carbon. We also present HR-TEM images of hollow nanocages obtained after the complete etching of the metal with acid. The coercivity of the homogeneous composites (Ni and Co encapsulated) exhibited a rapid decrease below 50 K, while in the temperature range of 50–350 K, pronounced superparamagnetic properties are observed. On the other hand, in the etched material consisting of hollow carbon cages, the contribution of the diamagnetism of the carbon fraction increases with temperature. Theoretical estimates of saturation magnetization of metal nanoparticles and the electronic diamagnetic susceptibility of the carbon spheres are consistent with the experimental results.</div></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"162 ","pages":"Article 107862"},"PeriodicalIF":3.4,"publicationDate":"2025-02-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143445393","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}
Pub Date : 2025-02-12DOI: 10.1016/j.solidstatesciences.2025.107861
Anil Kumar , A. Dahshan , Neeraj Mehta
Micro-indentations were made on new samples of the Se100(AgX)0 and Se95(AgX)5 (where X = Cl, Br, & I) systems to perform hardness measurement studies at different loads. Numerous models and methodologies, such as Meyer's law, the elastic/plastic deformation theory, Hays-Kendall's method, and the energy balance model, were used to assess the gathered Vickers microhardness data. DSC techniques were used to identify events related to thermal glass transition. Essential mechanical qualities that have been assessed include several thermos-mechanical parameters, such as the modulus of elasticity (E), the least micro-void formation energy (Eh), the micro-void volume (Vh), etc. Furthermore, a variety of physicochemical characteristics have been theoretically computed, such as the average coordination number (<r>), average heat of atomization (Hs), total constraints per atom (Nc), and the axial (nβ) and radial (nα) strength of the bonds.
The findings highlight that the various thermo-mechanical parameters examined in this work reach their optimized values in the case of the Se95(AgBr)5 sample. Furthermore, molar volume (Vm), compactness (δ), and density (ρ) have been computed both theoretically and experimentally.
{"title":"Thermo-mechanical and physicochemical features in Pseudo-binary Se-AgX chalcogenide glassy system","authors":"Anil Kumar , A. Dahshan , Neeraj Mehta","doi":"10.1016/j.solidstatesciences.2025.107861","DOIUrl":"10.1016/j.solidstatesciences.2025.107861","url":null,"abstract":"<div><div>Micro-indentations were made on new samples of the Se<sub>100</sub>(AgX)<sub>0</sub> and Se<sub>95</sub>(AgX)<sub>5</sub> (where X = Cl, Br, & I) systems to perform hardness measurement studies at different loads. Numerous models and methodologies, such as Meyer's law, the elastic/plastic deformation theory, Hays-Kendall's method, and the energy balance model, were used to assess the gathered Vickers microhardness data. DSC techniques were used to identify events related to thermal glass transition. Essential mechanical qualities that have been assessed include several thermos-mechanical parameters, such as the modulus of elasticity (<em>E</em>), the least micro-void formation energy (<em>E</em><sub><em>h</em></sub>), the micro-void volume (<em>V</em><sub><em>h</em></sub>), etc. Furthermore, a variety of physicochemical characteristics have been theoretically computed, such as the average coordination number (<<em>r</em>>), average heat of atomization (<em>H</em><sub><em>s</em></sub>), total constraints per atom (<em>N</em><sub><em>c</em></sub>), and the axial (<em>n</em><sub><em>β</em></sub>) and radial (<em>n</em><sub><em>α</em></sub>) strength of the bonds.</div><div>The findings highlight that the various thermo-mechanical parameters examined in this work reach their optimized values in the case of the Se<sub>95</sub>(AgBr)<sub>5</sub> sample. Furthermore, molar volume (<em>V</em><sub><em>m</em></sub>), compactness (<em>δ</em>), and density (<em>ρ</em>) have been computed both theoretically and experimentally.</div></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"162 ","pages":"Article 107861"},"PeriodicalIF":3.4,"publicationDate":"2025-02-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143437154","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}
Pub Date : 2025-02-12DOI: 10.1016/j.solidstatesciences.2025.107860
Shutian Lin , Xinli Zhang , Yingzhi Chen , Yuanhong Zhong , Gao Cheng , Lin Yu
The Fe-N-C catalyst was synthesized using loofah sponge-derived carbon and applied for peroxymonosulfate (PMS) activation to degrade organic pollutants. The catalyst, featuring highly dispersed single-atom Fe on the N-C framework, showed outstanding activity for phenol degradation across a wide pH range. The incorporation of Fe significantly boosted the catalytic performance, achieving rapid degradation of phenol at 20 mg L−1 within 10 min, using 0.5 mmol L‒1 of PMS and 0.2 g L−1 of catalyst. Electron paramagnetic resonance (EPR) and reactive oxygen quenching experiments identified the singlet oxygen (1O2) and superoxide radical (O2•‒) as the main reactive oxygen species, with the former playing a key role. It has been demonstrated that the Fe-Nx structures were the active sites that facilitated the generation of 1O2, thereby enhancing the catalytic activity of the Fe-N-C materials. The catalyst also effectively addressed pollutants like Rhodamine B and climbazole, indicating its potential for environmental remediation. The synthesis approach for Fe-N-C is applicable to other transition metals, such as Mn, Co, Ni, Cu, and Zn, providing valuable insights for the development of highly efficient and durable M-N-C catalysts.
{"title":"High-dispersed single-atom Fe on N-doped biochar for efficient degradation of organic contaminants by activating peroxymonosulfate","authors":"Shutian Lin , Xinli Zhang , Yingzhi Chen , Yuanhong Zhong , Gao Cheng , Lin Yu","doi":"10.1016/j.solidstatesciences.2025.107860","DOIUrl":"10.1016/j.solidstatesciences.2025.107860","url":null,"abstract":"<div><div>The Fe-N-C catalyst was synthesized using loofah sponge-derived carbon and applied for peroxymonosulfate (PMS) activation to degrade organic pollutants. The catalyst, featuring highly dispersed single-atom Fe on the N-C framework, showed outstanding activity for phenol degradation across a wide pH range. The incorporation of Fe significantly boosted the catalytic performance, achieving rapid degradation of phenol at 20 mg L<sup>−1</sup> within 10 min, using 0.5 mmol L<sup>‒</sup><sup>1</sup> of PMS and 0.2 g L<sup>−1</sup> of catalyst. Electron paramagnetic resonance (EPR) and reactive oxygen quenching experiments identified the singlet oxygen (<sup>1</sup>O<sub>2</sub>) and superoxide radical (O<sub>2</sub><sup>•‒</sup>) as the main reactive oxygen species, with the former playing a key role. It has been demonstrated that the Fe-N<sub><em>x</em></sub> structures were the active sites that facilitated the generation of <sup>1</sup>O<sub>2</sub>, thereby enhancing the catalytic activity of the Fe-N-C materials. The catalyst also effectively addressed pollutants like Rhodamine B and climbazole, indicating its potential for environmental remediation. The synthesis approach for Fe-N-C is applicable to other transition metals, such as Mn, Co, Ni, Cu, and Zn, providing valuable insights for the development of highly efficient and durable M-N-C catalysts.</div></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"162 ","pages":"Article 107860"},"PeriodicalIF":3.4,"publicationDate":"2025-02-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143437248","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}
Pub Date : 2025-02-06DOI: 10.1016/j.solidstatesciences.2025.107854
Sergey M. Aksenov , Dmitri O. Charkin , Alexander M. Banaru , Dmitri N. Dmitriev , Vadim E. Kireev , Grigory S. Ilyin , Yulia A. Vaitieva
Single crystals of two new compounds, (C5H14N2)Cr2O7 (1) and (C5H14N2)Cr3O10 (2), were isolated from the reaction products of 1-methylpiperazine and chromium trioxide in aqueous media. The crystal structures have been studied by the means of single-crystal X-ray analysis. The unit cell parameters are: a = 7.8459(1) Å, b = 8.8295(1) Å, c = 15.8951(2) Å, β = 96.634(1)°, space group P21/n for 1 and a = 8.0620(2) Å, b = 11.6652(4) Å, c = 14.5690(5) Å, β = 100.285(3)°, space group P21/c for 2. In contrast to chromate compounds templated by structurally related ethylenediammonium and piperazinediium cations, no monochromate was found in the 1-methylpiperazine – water – chromic oxide system. Both structures can be represented as nets of hydrogen bonds between the organic ammonium cations and polychromate anions. We discuss the structural features of various polychromate species (Cr2O72−, Cr3O102−, and Cr4O132−) among structures comprising organic and inorganic cations.
{"title":"Insights into the structural chemistry, topology, and complexity of organically templated polychromates(VI) with the linear [CrnO3n+1]2– groups: Synthesis and crystal structures of 1-methylpiperazinium polychromates, (C5H14N2)Cr2O7 and (C5H14N2)Cr3O10","authors":"Sergey M. Aksenov , Dmitri O. Charkin , Alexander M. Banaru , Dmitri N. Dmitriev , Vadim E. Kireev , Grigory S. Ilyin , Yulia A. Vaitieva","doi":"10.1016/j.solidstatesciences.2025.107854","DOIUrl":"10.1016/j.solidstatesciences.2025.107854","url":null,"abstract":"<div><div>Single crystals of two new compounds, (C<sub>5</sub>H<sub>14</sub>N<sub>2</sub>)Cr<sub>2</sub>O<sub>7</sub> (<strong>1</strong>) and (C<sub>5</sub>H<sub>14</sub>N<sub>2</sub>)Cr<sub>3</sub>O<sub>10</sub> (<strong>2</strong>), were isolated from the reaction products of 1-methylpiperazine and chromium trioxide in aqueous media. The crystal structures have been studied by the means of single-crystal X-ray analysis. The unit cell parameters are: <em>a</em> = 7.8459(1) Å, <em>b</em> = 8.8295(1) Å, <em>c</em> = 15.8951(2) Å, β = 96.634(1)°, space group <em>P</em>2<sub>1</sub>/<em>n</em> for <strong>1</strong> and <em>a</em> = 8.0620(2) Å, <em>b</em> = 11.6652(4) Å, <em>c</em> = 14.5690(5) Å, β = 100.285(3)°, space group <em>P</em>2<sub>1</sub>/<em>c</em> for <strong>2</strong>. In contrast to chromate compounds templated by structurally related ethylenediammonium and piperazinediium cations, no monochromate was found in the 1-methylpiperazine – water – chromic oxide system. Both structures can be represented as nets of hydrogen bonds between the organic ammonium cations and polychromate anions. We discuss the structural features of various polychromate species (Cr<sub>2</sub>O<sub>7</sub><sup>2−</sup>, Cr<sub>3</sub>O<sub>10</sub><sup>2−</sup>, and Cr<sub>4</sub>O<sub>13</sub><sup>2−</sup>) among structures comprising organic and inorganic cations.</div></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"162 ","pages":"Article 107854"},"PeriodicalIF":3.4,"publicationDate":"2025-02-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143419757","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}
Pub Date : 2025-02-06DOI: 10.1016/j.solidstatesciences.2025.107859
Li Ma , Luping Song , Zhe Zheng , Yuejing Lan , Linsen Zhou , Ruopu Liu , Yuansen Li , Zhijie Wei , Shaoyi Wu , Yan Shi , Guangkun Ren
Thermoelectric materials are widely employed in different areas, like deep space exploration for power generation and cooling in the thermal management of electronics. To obtain excellent performance in thermoelectric system, the materials are required to own great properties such as ZT at suitable temperature. Normal room-temperature materials like bismuth telluride may suffer from efficiency reduction of power generation or cooling, because of significant variation of ZT from 300K to 500K. Nowadays, it may be resolved by using another material lead telluride (PbTe) which is usually seen as a mid-temperature material in previous work. Recently, researchers have found that lead chalcogenides including PbTe can refrigerate near room temperature. Furthermore, we doped PbTe with silver (Ag) and found it possessed stable cooling efficiency owing to the smooth ZT from 300K to 523K. Through synthesizing a set of p-type Pb1-xAgxTe-5 at.% Te (x = 0–0.02) samples by melting and hot-press technology in Te-rich condition, we discovered the ZT was about 0.4 at 300K along with the average one reaching 0.38 and kept stable from 300K to 523K. Besides, the virtual thermoelectric cooler consisting of the 7-pair p-n junction showed the △Tmax and COPmax values can reach 54.9K and 9.3 % at 300K, respectively. This investigation highlights that the PbTe-based composition with silver dopant has the potential for refrigerating devices at or near room temperature in the future.
{"title":"Optimizing the cooling performance of lead telluride by doping silver","authors":"Li Ma , Luping Song , Zhe Zheng , Yuejing Lan , Linsen Zhou , Ruopu Liu , Yuansen Li , Zhijie Wei , Shaoyi Wu , Yan Shi , Guangkun Ren","doi":"10.1016/j.solidstatesciences.2025.107859","DOIUrl":"10.1016/j.solidstatesciences.2025.107859","url":null,"abstract":"<div><div>Thermoelectric materials are widely employed in different areas, like deep space exploration for power generation and cooling in the thermal management of electronics. To obtain excellent performance in thermoelectric system, the materials are required to own great properties such as <em>ZT</em> at suitable temperature. Normal room-temperature materials like bismuth telluride may suffer from efficiency reduction of power generation or cooling, because of significant variation of <em>ZT</em> from 300K to 500K. Nowadays, it may be resolved by using another material lead telluride (PbTe) which is usually seen as a mid-temperature material in previous work. Recently, researchers have found that lead chalcogenides including PbTe can refrigerate near room temperature. Furthermore, we doped PbTe with silver (Ag) and found it possessed stable cooling efficiency owing to the smooth <em>ZT</em> from 300K to 523K. Through synthesizing a set of p-type Pb<sub>1-<em>x</em></sub>Ag<sub><em>x</em></sub>Te-5 at.% Te (<em>x</em> = 0–0.02) samples by melting and hot-press technology in Te-rich condition, we discovered the <em>ZT</em> was about 0.4 at 300K along with the average one reaching 0.38 and kept stable from 300K to 523K. Besides, the virtual thermoelectric cooler consisting of the 7-pair p-n junction showed the △<em>T</em><sub>max</sub> and <em>COP</em><sub>max</sub> values can reach 54.9K and 9.3 % at 300K, respectively. This investigation highlights that the PbTe-based composition with silver dopant has the potential for refrigerating devices at or near room temperature in the future.</div></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"162 ","pages":"Article 107859"},"PeriodicalIF":3.4,"publicationDate":"2025-02-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143419681","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}
Pub Date : 2025-02-05DOI: 10.1016/j.solidstatesciences.2025.107857
Azher M. Abed , Anjan Kumar , Vicky Jain , Mohd Shukri Ab Yajid , Mamata Chahar , G Sanyasi Raju , Maher Ali Rusho , Hamad M. Alkahtani
In the rapidly evolving landscape of energy storage, magnesium-ion batteries (MIBs) have emerged as a promising alternative to traditional lithium-ion technologies, offering compelling advantages in cost and performance. Our research leverages advanced density functional theory (DFT) computations to explore boron-doped carbon nanosheets (BCx) as a potential anode material for next-generation MIBs. The innovative BCx nanostructure demonstrates exceptional characteristics, including high porosity and remarkable Mg ion binding capabilities. Through comprehensive computational analysis, we investigated critical parameters such as diffusion energy barrier, theoretical specific capacity, and open-circuit voltage. Our findings reveal remarkable performance metrics: complete Mg ion saturation, a theoretical specific capacity of 623.53 mAh g−1, and an impressively low open-circuit voltage of 0.10 V. The unique B2C4 ring structure facilitates efficient Mg ion diffusion, positioning BCx as a promising candidate for advanced energy storage solutions.
{"title":"A C2B two-dimensional monolayer with superior electrochemical performance of anode for Mg-ion batteries","authors":"Azher M. Abed , Anjan Kumar , Vicky Jain , Mohd Shukri Ab Yajid , Mamata Chahar , G Sanyasi Raju , Maher Ali Rusho , Hamad M. Alkahtani","doi":"10.1016/j.solidstatesciences.2025.107857","DOIUrl":"10.1016/j.solidstatesciences.2025.107857","url":null,"abstract":"<div><div>In the rapidly evolving landscape of energy storage, magnesium-ion batteries (MIBs) have emerged as a promising alternative to traditional lithium-ion technologies, offering compelling advantages in cost and performance. Our research leverages advanced density functional theory (DFT) computations to explore boron-doped carbon nanosheets (BC<sub>x</sub>) as a potential anode material for next-generation MIBs. The innovative BC<sub>x</sub> nanostructure demonstrates exceptional characteristics, including high porosity and remarkable Mg ion binding capabilities. Through comprehensive computational analysis, we investigated critical parameters such as diffusion energy barrier, theoretical specific capacity, and open-circuit voltage. Our findings reveal remarkable performance metrics: complete Mg ion saturation, a theoretical specific capacity of 623.53 mAh g<sup>−1</sup>, and an impressively low open-circuit voltage of 0.10 V. The unique B<sub>2</sub>C<sub>4</sub> ring structure facilitates efficient Mg ion diffusion, positioning BC<sub>x</sub> as a promising candidate for advanced energy storage solutions.</div></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"161 ","pages":"Article 107857"},"PeriodicalIF":3.4,"publicationDate":"2025-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143377442","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}
The effect of grain size distribution in raw powders on the structure and properties of n- and p-type conductivity room-temperature thermoelectric materials based on bismuth and antimony chalcogenides has been studied. Mixtures of coarse-grained and fine-grained powders have been used as raw powders. The samples have been produced using hot extrusion. The structure of the powders and the bulk materials has been studied using X-ray diffraction and electron microscopy. The thermoelectric properties of the samples have been examined using the Harman method. The mechanical properties of the samples have been tested by measuring the uniaxial compression ultimate strength. It has been shown that increasing the fraction of fine-grained powder in the raw powder mixture leads to an almost linear increase in the mechanical strength of the extruded material. The optimum grain size distribution that increases the thermoelectric figure of merit of the p-type conductivity materials has been found. A thermoelectric material having the thermoelectric figure of merit ZT = 1.02 at 330 K and ZT = 0.9 at 336 K for p- and n-type conductivity, respectively, has been obtained using hot extrusion.
{"title":"Effect of grain size distribution in raw powders on the thermoelectric and mechanical properties of hot-extruded Bi0.4Sb1.6Te3 and Bi2Te2.85Se0.15 solid solutions","authors":"M.G. Lavrentev , V.P. Panchenko , Yu N. Parkhomenko , A.S. Prosviryakov , N.Yu Tabachkova , M.V. Voronov","doi":"10.1016/j.solidstatesciences.2025.107858","DOIUrl":"10.1016/j.solidstatesciences.2025.107858","url":null,"abstract":"<div><div>The effect of grain size distribution in raw powders on the structure and properties of <em>n</em>- and <em>p</em>-type conductivity room-temperature thermoelectric materials based on bismuth and antimony chalcogenides has been studied. Mixtures of coarse-grained and fine-grained powders have been used as raw powders. The samples have been produced using hot extrusion. The structure of the powders and the bulk materials has been studied using X-ray diffraction and electron microscopy. The thermoelectric properties of the samples have been examined using the Harman method. The mechanical properties of the samples have been tested by measuring the uniaxial compression ultimate strength. It has been shown that increasing the fraction of fine-grained powder in the raw powder mixture leads to an almost linear increase in the mechanical strength of the extruded material. The optimum grain size distribution that increases the thermoelectric figure of merit of the <em>p</em>-type conductivity materials has been found. A thermoelectric material having the thermoelectric figure of merit <em>ZT</em> = 1.02 at 330 K and <em>ZT</em> = 0.9 at 336 K for <em>p</em>- and <em>n</em>-type conductivity, respectively, has been obtained using hot extrusion.</div></div>","PeriodicalId":432,"journal":{"name":"Solid State Sciences","volume":"161 ","pages":"Article 107858"},"PeriodicalIF":3.4,"publicationDate":"2025-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143377441","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}
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