Progress in Solid State Chemistry最新文献

{"title":"Elucidating interfacial behaviors of Li-ion argyrodites through μ-cavity electrode analysis","authors":"Orynbassar Mukhan ,&nbsp;Yuvaraj Subramanian ,&nbsp;Sharon Mugobera ,&nbsp;Sung-Soo Kim ,&nbsp;Kwang-Sun Ryu","doi":"10.1016/j.progsolidstchem.2025.100518","DOIUrl":"10.1016/j.progsolidstchem.2025.100518","url":null,"abstract":"<div><div>In the current scenario, All-Solid-State Batteries (ASSBs) are one of the inevitable energy storage systems due to their high energy density and safety aspects. Nonetheless, they have some limitations in their implementation for high performance solid-state lithium batteries. Notably, the reactions at the electrode and electrolyte interface, which negatively affects the Li-ion transport. From this perspective, we prepared the renowned high ionic conductive solid electrolytes (Li₆PS₅Cl, Li_6.2P_0.8Si_0.2S₅Cl_0.5Br_0.5, Li_5.3PS_4.3Cl_1.7 and Li_5.3PS_4.3ClBr_0.7) using a ball milling process subsequent to calcination at appropriate temperatures. The prepared electrolytes exhibited ionic conductivity values of 4.5, 5.3, 9.0 and 15.9 mS cm⁻¹, respectively. Importantly, the electrode and electrolyte interface processes are examined through microcavity electrode system using our prepared electrolyte and LiNi_0.5Co_0.2Mn_0.3O₂ (NCM523) cathode. In this case, a single particle confined in a micro cavity electrode system, NCM523-Li_6.2P_0.8Si_0.2S₅Cl_0.5Br_0.5 exhibits the highest initial discharge capacity value of 5.27 nAh, and an even higher initial Coulombic efficiency of 87.9 % surpassing other micro electrode systems. This and the electrochemical kinetic parameters evaluated through the Tafel plot analysis confirm that Si substitution minimizes chemical side reactions at the interface. The electrochemical kinetic parameters reveal that Li_6.2P_0.8Si_0.2S₅Cl_0.5Br_0.5 electrolyte has high exchange current, low charge transfer resistance and high lithium diffusion coefficient values. This proves that a favorable interface was formed between the NCM523 and the SE, thereby resulting in high rate of lithium-ion exchange between the NCM523 and the SE. The comparative study confirms the electrochemical kinetics improved by the bromine and silicon incorporation in the Li-argyrodite structure and offers flexible Li-ion pathways for better electrochemical performances.</div></div>","PeriodicalId":415,"journal":{"name":"Progress in Solid State Chemistry","volume":"78 ","pages":"Article 100518"},"PeriodicalIF":9.1,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143906755","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Original mechanism of transformation from soft metallic (sp2/sp3) C12 to ultra-dense and ultra-hard (sp3) semi-conducting C12: Crystal chemistry and DFT characterizations","authors":"Samir F. Matar","doi":"10.1016/j.progsolidstchem.2025.100521","DOIUrl":"10.1016/j.progsolidstchem.2025.100521","url":null,"abstract":"<div><div>An original mechanism is proposed for a pressure-induced transformation of orthorhombic C₁₂ from ground state normal pressure (NP) sp²/sp³ allotrope to ultra-dense and ultra-hard high pressure HP sp³ form. Upon volume decrease, the trigonal C<img>C parallel segments characterizing glitter-like <strong>tfi</strong> topology of NP C₁₂ change to crossing C–C segments with the loss of sp² character accompanied by a large densification with ρ = 3.64 g/cm³, larger than diamond, defining a novel orthorhombic HP C₁₂ with 4⁴<strong>T</strong>39 topology. The crystal chemistry engineering backed with quantum density functional theory DFT-based calculations let determine the ground state structures and energy derived physical properties. Furthering on that, the E(V) equations of states (EOS) let define the equilibrium NP(E₀,V₀) allotrope at lower energy and higher volume versus HP(E₀,V₀) allotrope at higher energy and smaller volume. A potential pressure induced transformation NP→HP was estimated at ∼100 GPa, reachable with a diamond anvil cell DAC. Both allotropes were found cohesive and mechanically stable with low and large Vickers hardness magnitudes: H_V(<strong>tfi</strong> C₁₂) = 24 GPa and H_V(4⁴<strong>T</strong>39 C₁₂) = 90 GPa; the latter being close to diamond hardness (H_V ∼95 GPa). Besides, both allotropes were found dynamically stable with positive phonon frequencies and a spectroscopic signature of C<img>C high frequency bands in <strong>tfi</strong> C₁₂. The electronic band structures show a metallic behavior for NP <strong>tfi</strong> C₁₂ and a small band gap for HP 4⁴<strong>T</strong>39C₁₂ letting assign semiconducting properties. The work is meant to open further the scope of C (sp²)→C (sp³) transformation mechanisms that are fundamental in solid state physics and chemistry.</div></div>","PeriodicalId":415,"journal":{"name":"Progress in Solid State Chemistry","volume":"78 ","pages":"Article 100521"},"PeriodicalIF":9.1,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143911629","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Progress and outlook of ferroelectric/non-ferroelectric polar glass-ceramics for multi-catalytic applications","authors":"Chirag Porwal ,&nbsp;Gurpreet Singh ,&nbsp;Moolchand Sharma ,&nbsp;Vishal Singh Chauhan ,&nbsp;Rahul Vaish","doi":"10.1016/j.progsolidstchem.2024.100497","DOIUrl":"10.1016/j.progsolidstchem.2024.100497","url":null,"abstract":"<div><div>Glass-ceramics have been long recognized for their capability to offer shared characteristics of both glassy as well as crystalline phases. By controlling volume fraction of crystalline phase dispersed in glassy matrix, the properties of glass-ceramics can be tuned for variety of applications such as dental implants, heat-resistant cooking ware, missiles nozzle cones, etc. A specific family of glass-ceramics that consists of ferroelectric/non-ferroelectric polar crystallites offers second-harmonic generation, pyroelectric, piezoelectric, and ferroelectric properties for actuators, sensors, non-linear optical devices, and lasers applications, that were traditionally not possible in glassy materials. Fabrication, crystallization behavior, and electrical properties of such glass-ceramics have been extensively studied in the last decade and widely reviewed in multiple documents in the literature. Recently, the presence of ferroelectric/non-ferroelectric polar crystallites in glasses unveils the new environmental applications of glass-ceramics using photocatalysis, piezocatalysis, and tribocatalysis processes stimulated by light, mechanical, and frictional energy, respectively. Ferroelectric/non-ferroelectric polar glass-ceramics for multi-catalysis is relatively a new and emerging area, that have potential to provide solution for real-environmental problems such as water-pollution. Thus, this review provides a comprehensive overview of multi-catalytic nature of ferroelectric/non-ferroelectric polar glass-ceramics. It discusses the underlying catalytic mechanisms and unveils the performance of these glass-ceramics in environmental applications. It highlights the advantages and challenges of ferroelectric/non-ferroelectric polar glass-ceramics as photo/piezo/tribocatalysts. This review will motivate glass researchers to work in the area of environmental applications of glass-ceramics using catalytic processes.</div></div>","PeriodicalId":415,"journal":{"name":"Progress in Solid State Chemistry","volume":"77 ","pages":"Article 100497"},"PeriodicalIF":9.1,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143131074","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Yttrium iron garnets: Phase study and synthesis methods","authors":"N. Askarzadeh,&nbsp;H. Shokrollahi","doi":"10.1016/j.progsolidstchem.2024.100507","DOIUrl":"10.1016/j.progsolidstchem.2024.100507","url":null,"abstract":"<div><div>Due to the rapid progress in the development of communication systems, magnetic ceramics-including spinels, hexaferrites, and garnets-have become increasingly attractive for use in various electronic and optoelectronic devices, particularly in the microwave range. Among the different types of ferrites, garnets generally exhibit higher electrical resistivity, lower dielectric losses, softer magnetic behavior, higher Curie points, and narrower ferromagnetic resonance linewidth. These properties make garnets suitable for spintronic technology, electro-optical applications, and the microwave/GHz domain, including devices such as phase shifters, circulators, and isolators. This important class of ferrimagnetic materials is found in two different compositional forms: unsubstituted garnets, or yttrium iron garnets (Y₃Fe₅O₁₂, YIG), and substituted garnets (R_xY_3-xM_yFe_5-yO₁₂). In addition to changes in chemical composition through doping and/or substitution of elements, other factors that can affect the performance of garnets include synthesis methods and heat treatment. Given the recent interest in nanotechnology, various shapes—including nanoparticles, thin films, nanorods, and nanotubes—have been considered alongside the bulk structure, either as composites or in uncombined forms, to develop materials for specific applications. This paper aims to provide an overview of the crystal structure, phase study, and various synthetic methods of garnets concerning their magnetic and structural behaviors.</div></div>","PeriodicalId":415,"journal":{"name":"Progress in Solid State Chemistry","volume":"77 ","pages":"Article 100507"},"PeriodicalIF":9.1,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143131075","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Novel Mn5+-activated Ba2TiO4 phosphor emitting in the second near-infrared biological window","authors":"Hang Zhao ,&nbsp;Xin Xin ,&nbsp;Liangsheng Tian ,&nbsp;Theeranun Siritanon ,&nbsp;Suwit Suthirakun ,&nbsp;Wongsathorn Kaewraung ,&nbsp;Menghang Qi ,&nbsp;Ruoxiu Xiao ,&nbsp;Jingyi Ren ,&nbsp;Peng Jiang","doi":"10.1016/j.progsolidstchem.2024.100493","DOIUrl":"10.1016/j.progsolidstchem.2024.100493","url":null,"abstract":"<div><div>In recent years, second near-infrared window emitting phosphors have gained widespread research interest due to their excellent tissue penetration and high imaging accuracy. In this work, a new type of Ba₂Ti_1-<em>x</em>Mn_<em>x</em>O_{4+<em>x</em>/2} (0.02 ≤ <em>x</em> ≤ 0.10) phosphors were successfully prepared by high-temperature solid-phase method and their potential in luminescence thermometry is evaluated. PL and PLE spectral analysis prove that the optimal Mn doping concentration is <em>x</em> = 0.03. The as-synthesized phosphors exhibit a broad excitation band of 550–1000 nm and a narrow emission band of 1170–1220 nm. The electronic structures of the original Ba₂TiO₄ and Mn-doped Ba₂TiO₄ were calculated and analyzed using the DFT + U method, which facilitates a better understanding of the impact of Mn doping on the luminescent properties of Ba₂TiO₄. The luminescence decay lifetime is measured to be 101.44 μs at room temperature, which is a giant enhancement compared to conventional nanosecond lifetime phosphor, indicating a progress in imaging accuracy. In addition, the as-synthesized phosphors maintain over 75 % of the maximum luminescence intensity within the physiological temperature range. The potential applications in luminescence temperature measurement were also analyzed by the LIR ratio method, and the relative sensitivity could reach 2.31 %K⁻¹ at 283 K, which is a relatively high value in the second near-infrared window. Therefore, the as-synthesized Ba₂Ti_1-<em>x</em>Mn_<em>x</em>O_{4+<em>x</em>/2} (0.02 ≤ <em>x</em> ≤ 0.10) phosphors demonstrate great potential in NIR applications such as biological imaging and luminescent thermometry.</div></div>","PeriodicalId":415,"journal":{"name":"Progress in Solid State Chemistry","volume":"76 ","pages":"Article 100493"},"PeriodicalIF":9.1,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142654387","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"The emergence of chalcogenides: A new era for thin film solar absorbers","authors":"Devika Rajan Sajitha ,&nbsp;Beauno Stephen ,&nbsp;Atsushi Nakamura ,&nbsp;Manickam Selvaraj ,&nbsp;Shyju Thankaraj Salammal ,&nbsp;Shamima Hussain","doi":"10.1016/j.progsolidstchem.2024.100490","DOIUrl":"10.1016/j.progsolidstchem.2024.100490","url":null,"abstract":"<div><div>This paper aims to provide a comprehensive overview of the recent advancements in chalcogenide-based solar absorber materials and their potential to revolutionize solar energy conversion. Researchers are focused on chalcogenide materials due to their distinctive properties, aiming to harness solar energy efficiently in response to the increasing demand for sustainable energy sources. The application of chalcogenide absorbers with zinc blende and chalcopyrite structures, such as CdTe and Cu(In, Ga)Se₂ (CIGSe) has resulted in considerable advances in thin film photovoltaic performance at both the laboratory and commercial scales. However, concerns persist about toxicity and the scarcity of constituent elements in CIGSe/CdTe absorbers remains. Cu₂ZnSn(S, Se)₄ (CZTS, Se) materials based on the kesterite structure have emerged as appealing alternatives, promising non-toxicity and an abundance of constituent metals. CZTS, Se solar cells have a lower record power conversion efficiency of 14.9 % when compared to CIGSe (22.6 %), CdTe (22.1 %), and CIS (20 %) devices. This research highlights the emergence of chalcogenides as a promising material class for flexible thin-film solar absorbers.</div></div>","PeriodicalId":415,"journal":{"name":"Progress in Solid State Chemistry","volume":"76 ","pages":"Article 100490"},"PeriodicalIF":9.1,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142421712","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Insights into the structure and polymerization mechanisms of CO molecules under pressure","authors":"Xiuyuan Li ,&nbsp;Zihuan Peng ,&nbsp;Chongwen Jiang ,&nbsp;Nan Li ,&nbsp;Jun Zhang ,&nbsp;Changqing Jin ,&nbsp;Chuan Xiao","doi":"10.1016/j.progsolidstchem.2024.100491","DOIUrl":"10.1016/j.progsolidstchem.2024.100491","url":null,"abstract":"<div><div>High pressure technique can greatly enrich the chemistry research by innovating the traditional research paradigm. Recently, tremendous attentions have been paid to the high-pressure behavior of low-Z molecules, such as CO, CO₂, N₂, O₂ and mixtures. These molecules tend to polymerize into extended solids at the pressure of 1–100 GPa, but the structures and polymerization mechanisms are still poorly understood. Herein, as a research model, high pressure polymerization process of carbon monoxide (CO) is studied in detail both experimentally and theoretically. The in-situ Raman spectra and angle-resolved X-ray diffraction experiments prove the successful synthesis of p-CO and its amorphous structure. The theoretical simulations reveal that two CO molecules dimerize into the ethylenedione (OCCO) diradical with spin-polarized singlet state firstly, then the OCCO diradical induces the subsequent chain elongation, ring closure and chain crosslinking reactions, leading to formation of the amorphous 3D network. The multiple basic units, hybrid coordination of C/O atoms and complex connecting styles in p-CO are revealed. Based on the polymerization mechanisms, the fundamental principles governing the character (amorphous or crystalline) of extended solids under high pressure are elucidated. Due to the small dipole moment and the head-to-tail disorder of CO molecules, it is reasonable to speculate that crystalline p-CO may exist under more rigorous conditions than 110 GPa and 2000 K, at which the isoelectronic nitrogen (N₂) molecules polymerize into a single-bonded cubic form of nitrogen. Our study provides a profound insight into the polymerization mechanism and structures of low-Z CO molecules under compression, contributes to the diversified chemical researches and has a generally scientific implications for the interior dynamics of planets.</div></div>","PeriodicalId":415,"journal":{"name":"Progress in Solid State Chemistry","volume":"76 ","pages":"Article 100491"},"PeriodicalIF":9.1,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142434494","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Impeding conduction by breaking the charge carrier hopping in charge-ordered perovskite BaBiO3 (BaBi0.53+Bi0.55+O3): Experimental and theoretical electronic structural correlations","authors":"L. Gowsalya ,&nbsp;C. Jesica Anjeline ,&nbsp;P. Devi ,&nbsp;P. Murugan ,&nbsp;N. Lakshminarasimhan","doi":"10.1016/j.progsolidstchem.2024.100478","DOIUrl":"10.1016/j.progsolidstchem.2024.100478","url":null,"abstract":"&lt;div&gt;&lt;p&gt;&lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mtext&gt;BaBi&lt;/mtext&gt;&lt;msub&gt;&lt;mi&gt;O&lt;/mi&gt;&lt;mn&gt;3&lt;/mn&gt;&lt;/msub&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt; (BBO), a charge-ordered perovskite with mixed-valent states of Bi (Bi&lt;sup&gt;3+&lt;/sup&gt; and Bi&lt;sup&gt;5+&lt;/sup&gt;), is known for its charge density wave (CDW) semiconducting and topological insulating properties. BBO has been extensively investigated for its superconducting, electrical, and photocatalytic properties. The present study aims to understand the alterations in the CDW and electronic properties of &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mtext&gt;Ba&lt;/mtext&gt;&lt;msubsup&gt;&lt;mtext&gt;Bi&lt;/mtext&gt;&lt;mn&gt;0.5&lt;/mn&gt;&lt;mrow&gt;&lt;mn&gt;3&lt;/mn&gt;&lt;mo&gt;+&lt;/mo&gt;&lt;/mrow&gt;&lt;/msubsup&gt;&lt;msubsup&gt;&lt;mtext&gt;Bi&lt;/mtext&gt;&lt;mn&gt;0.5&lt;/mn&gt;&lt;mrow&gt;&lt;mn&gt;5&lt;/mn&gt;&lt;mo&gt;+&lt;/mo&gt;&lt;/mrow&gt;&lt;/msubsup&gt;&lt;msub&gt;&lt;mi&gt;O&lt;/mi&gt;&lt;mn&gt;3&lt;/mn&gt;&lt;/msub&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt; by valence-selective substitution of Bi&lt;sup&gt;3+&lt;/sup&gt; and Bi&lt;sup&gt;5+&lt;/sup&gt; with La&lt;sup&gt;3+&lt;/sup&gt; and Nb&lt;sup&gt;5+&lt;/sup&gt;, respectively, in the solid solutions &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mtext&gt;Ba&lt;/mtext&gt;&lt;msubsup&gt;&lt;mtext&gt;Bi&lt;/mtext&gt;&lt;mrow&gt;&lt;mn&gt;0.5&lt;/mn&gt;&lt;mo&gt;−&lt;/mo&gt;&lt;mi&gt;x&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;3&lt;/mn&gt;&lt;mo&gt;+&lt;/mo&gt;&lt;/mrow&gt;&lt;/msubsup&gt;&lt;msubsup&gt;&lt;mrow&gt;&lt;msub&gt;&lt;mtext&gt;La&lt;/mtext&gt;&lt;mi&gt;x&lt;/mi&gt;&lt;/msub&gt;&lt;mtext&gt;Bi&lt;/mtext&gt;&lt;/mrow&gt;&lt;mn&gt;0.5&lt;/mn&gt;&lt;mrow&gt;&lt;mn&gt;5&lt;/mn&gt;&lt;mo&gt;+&lt;/mo&gt;&lt;/mrow&gt;&lt;/msubsup&gt;&lt;msub&gt;&lt;mi&gt;O&lt;/mi&gt;&lt;mn&gt;3&lt;/mn&gt;&lt;/msub&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt; and &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mtext&gt;Ba&lt;/mtext&gt;&lt;msubsup&gt;&lt;mtext&gt;Bi&lt;/mtext&gt;&lt;mn&gt;0.5&lt;/mn&gt;&lt;mrow&gt;&lt;mn&gt;3&lt;/mn&gt;&lt;mo&gt;+&lt;/mo&gt;&lt;/mrow&gt;&lt;/msubsup&gt;&lt;msubsup&gt;&lt;mtext&gt;Bi&lt;/mtext&gt;&lt;mrow&gt;&lt;mn&gt;0.5&lt;/mn&gt;&lt;mo&gt;−&lt;/mo&gt;&lt;mi&gt;y&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;5&lt;/mn&gt;&lt;mo&gt;+&lt;/mo&gt;&lt;/mrow&gt;&lt;/msubsup&gt;&lt;msub&gt;&lt;mtext&gt;Nb&lt;/mtext&gt;&lt;mi&gt;y&lt;/mi&gt;&lt;/msub&gt;&lt;msub&gt;&lt;mi&gt;O&lt;/mi&gt;&lt;mn&gt;3&lt;/mn&gt;&lt;/msub&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt; (x = y = 0.0, 0.1, 0.3, and 0.5). The samples synthesized &lt;em&gt;via&lt;/em&gt; high-temperature solid-state reaction method were characterized by powder X-ray diffraction and various spectroscopic techniques (FT-IR, Laser Raman, EPR, XPS, and UPS). Impedance analysis revealed an upsurge in total impedance with the substitution of Bi&lt;sup&gt;3+&lt;/sup&gt;/Bi&lt;sup&gt;5+&lt;/sup&gt; by La&lt;sup&gt;3+&lt;/sup&gt;/Nb&lt;sup&gt;5+&lt;/sup&gt; indicating the blocking of electron/hole hopping by disruption of the charge ordering of redox pair Bi&lt;sup&gt;3+&lt;/sup&gt; and Bi&lt;sup&gt;5+&lt;/sup&gt;. The valence-selective substitution of Bi&lt;sup&gt;3+&lt;/sup&gt;/Bi&lt;sup&gt;5+&lt;/sup&gt; in BaBiO&lt;sub&gt;3&lt;/sub&gt; resulted in an alteration of the electronic structure and changes in the bandwidth of &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mtext&gt;Ba&lt;/mtext&gt;&lt;msubsup&gt;&lt;mtext&gt;Bi&lt;/mtext&gt;&lt;mrow&gt;&lt;mn&gt;0.5&lt;/mn&gt;&lt;mo&gt;−&lt;/mo&gt;&lt;mi&gt;x&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;3&lt;/mn&gt;&lt;mo&gt;+&lt;/mo&gt;&lt;/mrow&gt;&lt;/msubsup&gt;&lt;msubsup&gt;&lt;mrow&gt;&lt;msub&gt;&lt;mtext&gt;La&lt;/mtext&gt;&lt;mi&gt;x&lt;/mi&gt;&lt;/msub&gt;&lt;mtext&gt;Bi&lt;/mtext&gt;&lt;/mrow&gt;&lt;mn&gt;0.5&lt;/mn&gt;&lt;mrow&gt;&lt;mn&gt;5&lt;/mn&gt;&lt;mo&gt;+&lt;/mo&gt;&lt;/mrow&gt;&lt;/msubsup&gt;&lt;msub&gt;&lt;mi&gt;O&lt;/mi&gt;&lt;mn&gt;3&lt;/mn&gt;&lt;/msub&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt; and &lt;span&gt;&lt;math&gt;&lt;mrow&gt;&lt;mtext&gt;Ba&lt;/mtext&gt;&lt;msubsup&gt;&lt;mtext&gt;Bi&lt;/mtext&gt;&lt;mn&gt;0.5&lt;/mn&gt;&lt;mrow&gt;&lt;mn&gt;3&lt;/mn&gt;&lt;mo&gt;+&lt;/mo&gt;&lt;/mrow&gt;&lt;/msubsup&gt;&lt;msubsup&gt;&lt;mtext&gt;Bi&lt;/mtext&gt;&lt;mrow&gt;&lt;mn&gt;0.5&lt;/mn&gt;&lt;mo&gt;−&lt;/mo&gt;&lt;mi&gt;y&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;5&lt;/mn&gt;&lt;mo&gt;+&lt;/mo&gt;&lt;/mrow&gt;&lt;/msubsup&gt;&lt;msub&gt;&lt;mtext&gt;Nb&lt;/mtext&gt;&lt;mi&gt;y&lt;/mi&gt;&lt;/msub&gt;&lt;msub&gt;&lt;mi&gt;O&lt;/mi&gt;&lt;mn&gt;3&lt;/mn&gt;&lt;/msub&gt;&lt;/mrow&gt;&lt;/math&gt;&lt;/span&gt; (x = y = 0.0, 0.1, 0.3, and 0.5) solid solutions, which ","PeriodicalId":415,"journal":{"name":"Progress in Solid State Chemistry","volume":"76 ","pages":"Article 100478"},"PeriodicalIF":9.1,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142164824","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Recent advances in the development of polyoxometalates and their composites for the degradation of toxic chemical dyes","authors":"Gajiram Murmu ,&nbsp;Tamanna Harihar Panigrahi ,&nbsp;Sumit Saha","doi":"10.1016/j.progsolidstchem.2024.100489","DOIUrl":"10.1016/j.progsolidstchem.2024.100489","url":null,"abstract":"<div><p>Polyoxometalates (POMs) and their composites have emerged as promising candidates for degrading toxic chemical dyes in wastewater remediation. POMs, with their tunable structures and redox properties, exhibit high catalytic activity towards various organic pollutants, including dyes. The integration of POMs into composite materials creates a synergistic effect that enhances endurance and efficiency during dye degradation. POMs are classified based on metal composition and structure, highlighting their roles in dye removal processes. Categories include molybdenum-based, tungsten-based, vanadium-based, and mixed metal-based POMs, each with distinct properties affecting dye elimination efficacy. The application of POMs and their composites in degrading specific chemical dyes, including cationic, anionic, and azo dyes, is elaborately described. Various mechanisms for dye removal from aqueous media, such as photocatalysis, adsorption, Fenton-like reactions, and electrochemical processes, underscore the crucial role of POMs and their composites in toxic chemical dye degradation. The factors influencing dye-POM interactions, such as pH, temperature, POM composition, and dye structure, are analyzed to understand their impact on removal efficiency. The review discusses the influence of metal type, POM structure, and solution conditions on dye removal efficacy, providing insights into how specific metal-based POMs interact with different dye molecules. Challenges and future perspectives for implementing POM-based materials in dye wastewater treatment are outlined, emphasizing the need for further research to optimize performance and ensure practical feasibility in large-scale applications.</p></div>","PeriodicalId":415,"journal":{"name":"Progress in Solid State Chemistry","volume":"76 ","pages":"Article 100489"},"PeriodicalIF":9.1,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142239249","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"From layered 2D carbon to 3D tetrahedral allotropes C12 and C18 with physical properties related to diamond: Crystal chemistry and DFT investigations","authors":"Samir F. Matar","doi":"10.1016/j.progsolidstchem.2024.100492","DOIUrl":"10.1016/j.progsolidstchem.2024.100492","url":null,"abstract":"<div><div>Mechanisms of changes from 2D to 3D (D = dimensionality) involving 2D C(sp²) trigonal paving to C(sp³) tetrahedral stacking are proposed through puckering of the 2D layers on one hand and interlayer insertion of extra C on the other hand. Such transformations, led to 3D hexagonal C₁₂ and C₁₈ allotropes respectively characterized by <strong>lon</strong> and <strong>bac</strong> topologies. Using density functional theory DFT calculations, the two allotropes were found cohesive and stable both mechanically (elastic properties) and dynamically (phonons). Comparisons of the physical properties with known <strong>uni</strong> C₆ were established letting identify ranges of large Vickers hardness: H_V (<strong>uni</strong> C₆) = 89 GPa, H_V (<strong>lon</strong> C₁₂) = 97 GPa, and H_V (<strong>bac</strong> C₁₈) = 70 GPa. Whilst C₆ was identified with acoustic phonons instability, C₁₂ and C₁₈ were found stable dynamically throughout the acoustic and optic frequency ranges. Furthering on the thermal properties the allotropes were characterized with a temperature dependence curve of the specific heat C_V close to experimental data of diamond with best fit for novel C₁₈. The electronic band structures reveal a small band gap of 1 eV for <strong>uni</strong> C₆ and larger direct band gap of 3 eV for the two other 3D allotropes. Such modulations of the electronic and physical properties should open scopes of carbon research.</div></div>","PeriodicalId":415,"journal":{"name":"Progress in Solid State Chemistry","volume":"76 ","pages":"Article 100492"},"PeriodicalIF":9.1,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142535872","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}