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New challenges for lithium fluoride: From dosimeter to solid-state batteries (review)

Next Materials

Pub Date : 2025-02-20 DOI: 10.1016/j.nxmate.2025.100548

Utkirjon Sharopov , Tukhtamurod Juraev , Siddik Kakhkhorov , Khusniddin Juraev , Muzaffar Kurbanov , Mukhtorjon Karimov , Dilmurod Saidov , Alisher Kakhramonov , Feruza Akbarova , Islomjon Rakhmatshoev , Odiljon Abdurakhmonov

Lithium fluoride (LiF) stands out as a material with exceptional physical and chemical properties, including high ionic conductivity, thermal stability, and compatibility with modern battery components. While its initial applications were rooted in radiation dosimetry due to its thermoluminescent capabilities, LiF has since evolved into a versatile material with broad applications spanning optics, electronics, and lithium-ion battery (LIB) technologies. This review delves into the multifaceted roles of LiF, charting its progression from a dosimetric material in the 1980s to a critical component in next-generation solid-state batteries. The material’s ability to enhance the stability, durability, and safety of LIB components, especially in solid electrolyte systems, is particularly emphasized. LiF also plays a significant role in the fabrication of high-efficiency OLED devices, as well as in nuclear technologies, where it is utilized in neutron dosimetry and reactor materials. Furthermore, the paper explores LiF’s contributions to defect engineering, surface modifications, and recycling strategies, which are pivotal in advancing its application in energy storage technologies. Beyond batteries, LiF's utility extends to fields like catalysis, biomedicine, and nuclear technologies, reflecting its vast potential for future innovations. This study provides a comprehensive overview of LiF's properties, applications, and research directions, offering insights into its critical role in the development of sustainable and high-performance materials for emerging technologies.

{"title":"New challenges for lithium fluoride: From dosimeter to solid-state batteries (review)","authors":"Utkirjon Sharopov , Tukhtamurod Juraev , Siddik Kakhkhorov , Khusniddin Juraev , Muzaffar Kurbanov , Mukhtorjon Karimov , Dilmurod Saidov , Alisher Kakhramonov , Feruza Akbarova , Islomjon Rakhmatshoev , Odiljon Abdurakhmonov","doi":"10.1016/j.nxmate.2025.100548","DOIUrl":"10.1016/j.nxmate.2025.100548","url":null,"abstract":"<div><div>Lithium fluoride (LiF) stands out as a material with exceptional physical and chemical properties, including high ionic conductivity, thermal stability, and compatibility with modern battery components. While its initial applications were rooted in radiation dosimetry due to its thermoluminescent capabilities, LiF has since evolved into a versatile material with broad applications spanning optics, electronics, and lithium-ion battery (LIB) technologies. This review delves into the multifaceted roles of LiF, charting its progression from a dosimetric material in the 1980s to a critical component in next-generation solid-state batteries. The material’s ability to enhance the stability, durability, and safety of LIB components, especially in solid electrolyte systems, is particularly emphasized. LiF also plays a significant role in the fabrication of high-efficiency OLED devices, as well as in nuclear technologies, where it is utilized in neutron dosimetry and reactor materials. Furthermore, the paper explores LiF’s contributions to defect engineering, surface modifications, and recycling strategies, which are pivotal in advancing its application in energy storage technologies. Beyond batteries, LiF's utility extends to fields like catalysis, biomedicine, and nuclear technologies, reflecting its vast potential for future innovations. This study provides a comprehensive overview of LiF's properties, applications, and research directions, offering insights into its critical role in the development of sustainable and high-performance materials for emerging technologies.</div></div>","PeriodicalId":100958,"journal":{"name":"Next Materials","volume":"8 ","pages":"Article 100548"},"PeriodicalIF":0.0,"publicationDate":"2025-02-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143445085","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Incorporating marble sludge in laying mortars and their microstructural, thermal, mechanical, and chemical characteristics

Next Materials

Pub Date : 2025-02-18 DOI: 10.1016/j.nxmate.2025.100552

D.G.C. Silva , N.B.D. Lima

The processing of dimension stones is responsible for a large generation of waste. The cutting and polishing phase is carried out with the aid of running water and ends up generating a specific type of waste called marble work sludge or abrasive sludge (contaminant residue), composed of a mixture of powder from different types of rocks, water and remains of abrasive elements. The objective of this study was to evaluate the affect of replacing cement with marble waste in the cement matrix. The sludge was collected and treated for use in mortars. The physical characterization of the materials was carried out using laser granulometry and specific mass. Microstructural analysis was carried out using the Scanning Electron Microscope (SEM) and chemical characterization was carried out using energy dispersive spectroscopy (EDS) and energy dispersive spectroscopy (EDX). the chemical analysis of the mortars was carried out using X-ray Fluorescence Spectrometry analysis was carried out (FRX). To understand the thermal behavior of the residue, thermogravimetric analysis of the abrasive sludge was also carried out using STA, obtaining TGA, DTG, and DSC. After the physical, chemical and microstructural characterization of the materials, mortars were made with replacement if cement with sludge abrasive in proportions of 10 %, 15 % and 20 %. The results of this research indicate the possibility of substitution of up to 10 % of cement for abrasive sludge without compromising the mechanical performance of the mortars.

{"title":"Incorporating marble sludge in laying mortars and their microstructural, thermal, mechanical, and chemical characteristics","authors":"D.G.C. Silva , N.B.D. Lima","doi":"10.1016/j.nxmate.2025.100552","DOIUrl":"10.1016/j.nxmate.2025.100552","url":null,"abstract":"<div><div>The processing of dimension stones is responsible for a large generation of waste. The cutting and polishing phase is carried out with the aid of running water and ends up generating a specific type of waste called marble work sludge or abrasive sludge (contaminant residue), composed of a mixture of powder from different types of rocks, water and remains of abrasive elements. The objective of this study was to evaluate the affect of replacing cement with marble waste in the cement matrix. The sludge was collected and treated for use in mortars. The physical characterization of the materials was carried out using laser granulometry and specific mass. Microstructural analysis was carried out using the Scanning Electron Microscope (SEM) and chemical characterization was carried out using energy dispersive spectroscopy (EDS) and energy dispersive spectroscopy (EDX). the chemical analysis of the mortars was carried out using X-ray Fluorescence Spectrometry analysis was carried out (FRX). To understand the thermal behavior of the residue, thermogravimetric analysis of the abrasive sludge was also carried out using STA, obtaining TGA, DTG, and DSC. After the physical, chemical and microstructural characterization of the materials, mortars were made with replacement if cement with sludge abrasive in proportions of 10 %, 15 % and 20 %. The results of this research indicate the possibility of substitution of up to 10 % of cement for abrasive sludge without compromising the mechanical performance of the mortars.</div></div>","PeriodicalId":100958,"journal":{"name":"Next Materials","volume":"8 ","pages":"Article 100552"},"PeriodicalIF":0.0,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143436925","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Electrodeposited endeavour: Concentration-tuned nickel oxide nanostructures for high-performance supercapacitors

Next Materials

Pub Date : 2025-02-18 DOI: 10.1016/j.nxmate.2025.100531

Udayraj T. Pawar , Avinash C. Molane , Shivani S. Gavande , Kranti P. Patil , Ramesh N. Mulik , Kumar Krishnan , Vikas B. Patil

Herein we focused on synthesis of concentration modulated nickel oxide (NiO) nanosheets by simple and straightforward electrodeposition technique to investigate physicochemical properties and eventually electrochemical performance. Cubic and hydrophilic NiO nanosheets with optimum crystallite size, porosity and mixed Ni²⁺/ Ni³⁺ states show pseudocapacitive nature with excellent performance. It is observed that, 956.22 F/g specific capacitance at 5 mV/s scan rate. The diffusion controlled reaction kinetics during charging and discharging process shows 25.04 Wh/kg and 3.41 kW/kg energy and power density respectively. The optimized sample exhibits lower values for series and charge transfer resistance due to the conducting channel developed through interconnected nanoparticles. Moreover, electrochemical performance of liquid state symmetric supercapacitor device is measured. The overall study reveals electrodeposited NiO nanostructures are an ideal candidate for energy storage applications.

{"title":"Electrodeposited endeavour: Concentration-tuned nickel oxide nanostructures for high-performance supercapacitors","authors":"Udayraj T. Pawar , Avinash C. Molane , Shivani S. Gavande , Kranti P. Patil , Ramesh N. Mulik , Kumar Krishnan , Vikas B. Patil","doi":"10.1016/j.nxmate.2025.100531","DOIUrl":"10.1016/j.nxmate.2025.100531","url":null,"abstract":"<div><div>Herein we focused on synthesis of concentration modulated nickel oxide (NiO) nanosheets by simple and straightforward electrodeposition technique to investigate physicochemical properties and eventually electrochemical performance. Cubic and hydrophilic NiO nanosheets with optimum crystallite size, porosity and mixed Ni<sup>2+</sup>/ Ni<sup>3+</sup> states show pseudocapacitive nature with excellent performance. It is observed that, 956.22 F/g specific capacitance at 5 mV/s scan rate. The diffusion controlled reaction kinetics during charging and discharging process shows 25.04 Wh/kg and 3.41 kW/kg energy and power density respectively. The optimized sample exhibits lower values for series and charge transfer resistance due to the conducting channel developed through interconnected nanoparticles. Moreover, electrochemical performance of liquid state symmetric supercapacitor device is measured. The overall study reveals electrodeposited NiO nanostructures are an ideal candidate for energy storage applications.</div></div>","PeriodicalId":100958,"journal":{"name":"Next Materials","volume":"8 ","pages":"Article 100531"},"PeriodicalIF":0.0,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143430265","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Role of donor fluorination in voltage losses of organic solar cells

Next Materials

Pub Date : 2025-02-18 DOI: 10.1016/j.nxmate.2025.100546

Yanxian Ma , Quanbin Liang , Hongbin Wu

Organic solar cells have exhibited high power conversion efficiency of up to 20 % with the rapid development of non-fullerene solar cells in recent years. However, further materials and device optimizations are still necessary due to the considerably large voltage losses compared to traditional inorganic counterparts such as Si or GaAs. In this study, we employed various characterization methods to present a systematic investigation based on fluorinated donors and nine different acceptors to determine the role of donor fluorination in the performance of organic solar cells, especially the voltage losses. We found that the devices with fluorinated PM6 as donor exhibit significantly lower voltage losses (including radiative and non-radiative) than the ones with non-fluorinate PBDB-T donor when paired with different typical non-fullerene and fullerene acceptors, which can be attributed to the reduced charge transfer state reorganization energies, lower Urbach energy, and enhanced radiative decay rate. In addition, the PM6-based devices exhibit generally larger deep trap energy than the PBDB-T ones, but it is not the determinant to the voltage losses. These results enable us to identify the key features for minimizing the voltage losses and suggest that molecular design strategies focusing on the reduction of reorganization energy along with Urbach energy and increase of radiative decay rate is crucial for further improving the performance of organic solar cells.

{"title":"Role of donor fluorination in voltage losses of organic solar cells","authors":"Yanxian Ma , Quanbin Liang , Hongbin Wu","doi":"10.1016/j.nxmate.2025.100546","DOIUrl":"10.1016/j.nxmate.2025.100546","url":null,"abstract":"<div><div>Organic solar cells have exhibited high power conversion efficiency of up to 20 % with the rapid development of non-fullerene solar cells in recent years. However, further materials and device optimizations are still necessary due to the considerably large voltage losses compared to traditional inorganic counterparts such as Si or GaAs. In this study, we employed various characterization methods to present a systematic investigation based on fluorinated donors and nine different acceptors to determine the role of donor fluorination in the performance of organic solar cells, especially the voltage losses. We found that the devices with fluorinated PM6 as donor exhibit significantly lower voltage losses (including radiative and non-radiative) than the ones with non-fluorinate PBDB-T donor when paired with different typical non-fullerene and fullerene acceptors, which can be attributed to the reduced charge transfer state reorganization energies, lower Urbach energy, and enhanced radiative decay rate. In addition, the PM6-based devices exhibit generally larger deep trap energy than the PBDB-T ones, but it is not the determinant to the voltage losses. These results enable us to identify the key features for minimizing the voltage losses and suggest that molecular design strategies focusing on the reduction of reorganization energy along with Urbach energy and increase of radiative decay rate is crucial for further improving the performance of organic solar cells.</div></div>","PeriodicalId":100958,"journal":{"name":"Next Materials","volume":"8 ","pages":"Article 100546"},"PeriodicalIF":0.0,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143430262","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Conversion of carbohydrates into 5-hydroxymethylfurfural and valuable 2-amino-4H-pyran using functionalized carbonaceous material with strong Brønsted acid as an efficient catalyst

Next Materials

Pub Date : 2025-02-18 DOI: 10.1016/j.nxmate.2025.100536

Khanh Ha Nguyen , Trinh Hao Nguyen , Ha Bich Phan , Hai Truong Nguyen , Phuong Hoang Tran

The conversion of biomass-derived 5-hydroxymethylfurfural (HMF) into valuable chemicals has attracted significant interest in the petroleum and chemical sectors. In this work, we explored the synthesis of amorphous carbon bearing Brönsted acid sites (AC-SO₃H) as a catalyst for efficient HMF production from carbohydrates. We examined the effects of temperature, solvent, ratio of solvent, catalyst loading and reaction time on HMF yield. Optimal conditions include a temperature of 150 °C, 10 mg of AC-SO₃H as a catalyst, fructose and DMSO/sulfolane (1/1) solvent, achieving approximately 87 % HMF efficiency within 2 h. The AC-SO₃H catalyst exhibits high activity and stability in fructose-to-HMF conversion. The produced HMF is then utilized as a precursor for synthesizing valuable compounds. This research demonstrates the potential of AC-SO₃H catalysts in HMF production and utilization.

引用次数: 0

Impact of pressure on structural, mechanical, optoelectronic and thermoelectric properties of vacancy-ordered double perovskite K2SeCl6: A first principles study

Next Materials

Pub Date : 2025-02-18 DOI: 10.1016/j.nxmate.2025.100512

Salma Zahan , Dil Afroj , Mohammad Abdur Rashid

The structural, mechanical, electronic, optical, and thermoelectric properties of vacancy-ordered double perovskite K

_{2}

SeCl

_{6}

are estimated through first-principle calculations under ambient conditions and hydrostatic pressures up to 80 GPa. The structural stability of the material is confirmed by a Goldsmith tolerance factor of 0.98 and a negative formation energy of −0.53 eV/atom. K

_{2}

SeCl

_{6}

is mechanically robust, possessing good stability, hardness, and stiffness. At ambient conditions, K

_{2}

SeCl

_{6}

exhibits p-type semiconducting behavior with an indirect band gap of 2.502 eV. Under 80 GPa, the band gap of the material reduces to the lower boundary of the visible region. Optical absorbance and conductivity increase with increase of hydrostatic pressure, enhancing its suitability for ultraviolet–visible optoelectronic applications as an absorption layer in photovoltaic cells under pressure. Additionally, its low lattice thermal conductivity and high thermoelectric figure of merit suggest its efficiency for renewable energy applications both at ambient and high-pressure conditions. This material shows promising multifunctionality for future optoelectronic and energy conversion technologies.

{"title":"Impact of pressure on structural, mechanical, optoelectronic and thermoelectric properties of vacancy-ordered double perovskite K2SeCl6: A first principles study","authors":"Salma Zahan , Dil Afroj , Mohammad Abdur Rashid","doi":"10.1016/j.nxmate.2025.100512","DOIUrl":"10.1016/j.nxmate.2025.100512","url":null,"abstract":"<div><div>The structural, mechanical, electronic, optical, and thermoelectric properties of vacancy-ordered double perovskite K<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>SeCl<span><math><msub><mrow></mrow><mrow><mn>6</mn></mrow></msub></math></span> are estimated through first-principle calculations under ambient conditions and hydrostatic pressures up to 80 GPa. The structural stability of the material is confirmed by a Goldsmith tolerance factor of 0.98 and a negative formation energy of −0.53 eV/atom. K<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>SeCl<span><math><msub><mrow></mrow><mrow><mn>6</mn></mrow></msub></math></span> is mechanically robust, possessing good stability, hardness, and stiffness. At ambient conditions, K<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>SeCl<span><math><msub><mrow></mrow><mrow><mn>6</mn></mrow></msub></math></span> exhibits p-type semiconducting behavior with an indirect band gap of 2.502 eV. Under 80 GPa, the band gap of the material reduces to the lower boundary of the visible region. Optical absorbance and conductivity increase with increase of hydrostatic pressure, enhancing its suitability for ultraviolet–visible optoelectronic applications as an absorption layer in photovoltaic cells under pressure. Additionally, its low lattice thermal conductivity and high thermoelectric figure of merit suggest its efficiency for renewable energy applications both at ambient and high-pressure conditions. This material shows promising multifunctionality for future optoelectronic and energy conversion technologies.</div></div>","PeriodicalId":100958,"journal":{"name":"Next Materials","volume":"8 ","pages":"Article 100512"},"PeriodicalIF":0.0,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143430268","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Transition metal dopants modulate the band gap and electronic structure of corrugated graphitic carbon nitride

Next Materials

Pub Date : 2025-02-18 DOI: 10.1016/j.nxmate.2025.100550

Edgar Clyde R. Lopez

The rational selection of dopants for graphitic carbon nitride (GCN) is essential for tailoring its electronic properties, enabling advancements in photocatalysis, energy conversion, and electronics. Modifying the band gap, valence band edge (VBE), and conduction band edge (CBE) of GCN can enhance its light absorption capabilities, with narrower gaps improving visible light absorption and wider gaps increasing stability while lowering electron-hole recombination rates. Transition metals serve as effective dopants due to their distinct electronic configurations, allowing precise tuning of GCN's electronic structure. Early transition metals like titanium and vanadium reduce the band gap, enhancing conductivity for catalytic applications. Mid-transition metals such as iron and cobalt maintain structural integrity while optimizing electron mobility, ideal for stable catalytic systems. Late transition metals, including palladium and silver, provide highly conductive pathways with significant band gap reduction, suitable for high-performance catalysis and electronics. Strategic dopant selection, considering both functionality and sustainability, is vital for achieving high-performing, economically viable materials. Overall, the findings pave the way for tailored materials that address challenges in energy storage and environmental sustainability, highlighting the potential of doped GCN as a versatile candidate for innovative electronic and catalytic systems.

{"title":"Transition metal dopants modulate the band gap and electronic structure of corrugated graphitic carbon nitride","authors":"Edgar Clyde R. Lopez","doi":"10.1016/j.nxmate.2025.100550","DOIUrl":"10.1016/j.nxmate.2025.100550","url":null,"abstract":"<div><div>The rational selection of dopants for graphitic carbon nitride (GCN) is essential for tailoring its electronic properties, enabling advancements in photocatalysis, energy conversion, and electronics. Modifying the band gap, valence band edge (VBE), and conduction band edge (CBE) of GCN can enhance its light absorption capabilities, with narrower gaps improving visible light absorption and wider gaps increasing stability while lowering electron-hole recombination rates. Transition metals serve as effective dopants due to their distinct electronic configurations, allowing precise tuning of GCN's electronic structure. Early transition metals like titanium and vanadium reduce the band gap, enhancing conductivity for catalytic applications. Mid-transition metals such as iron and cobalt maintain structural integrity while optimizing electron mobility, ideal for stable catalytic systems. Late transition metals, including palladium and silver, provide highly conductive pathways with significant band gap reduction, suitable for high-performance catalysis and electronics. Strategic dopant selection, considering both functionality and sustainability, is vital for achieving high-performing, economically viable materials. Overall, the findings pave the way for tailored materials that address challenges in energy storage and environmental sustainability, highlighting the potential of doped GCN as a versatile candidate for innovative electronic and catalytic systems.</div></div>","PeriodicalId":100958,"journal":{"name":"Next Materials","volume":"8 ","pages":"Article 100550"},"PeriodicalIF":0.0,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143430269","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Synthesis, characterization and comparative thermoelectric behaviour study of two phases of CuFeS2 nanoparticles

Next Materials

Pub Date : 2025-02-18 DOI: 10.1016/j.nxmate.2025.100549

Bhoomi S. Shah, Sunil H. Chaki, M.P. Deshpande

A comparative study of power factor and figure of merit of two phases, tetragonal (TG) and hexagonal (HG), of CuFeS₂ (CFS) nanoparticles are carried out. The HG phased CFS is synthesized by microwave-assisted method. The complete synthesis and characterization of the HG phase CFS nanoparticles is reported in authors’ earlier paper. The TG phase of the CFS nanoparticles is synthesised by simple wet chemical method. The TG CFS is characterized by powder X − ray diffraction plot, energy dispersive analysis of X-ray, UV-Vis spectroscopy plot, scanning electron microscopy, and transmission electron microscopy with selected area electron diffraction. The nanoparticles with two different phases are compared for the thermoelectric measurement and tried to check the most appropriate phase for the thermoelectric usage. The results demonstrate the potential of the HG phase of CFS for thermoelectric applications. This study delivers a promising foundation for the development of high-efficiency thermoelectric materials based on CFS.

引用次数: 0

Photocatalytic properties of SrTiO₃ – Impact of (Co-)doping with Sc, Cr, Co, Ir and La

Next Materials

Pub Date : 2025-02-17 DOI: 10.1016/j.nxmate.2025.100545

Azeem Ghulam Nabi , Maryam Hayat , Shahbaz Khan , Salman Nazir , Akhtar Hussain , Aman-ur-Rehman , Gregory A. Chass , Devis Di Tommaso

The optical properties of doped SrTiO₃ are crucial for solar energy conversion due to their correlation with their efficacy to absorb and convert sunlight to energy. In this study, the impact of La, Co, Cr, Sc, and Ir substitutions on the structural, optical, electrical, and photocatalytic properties of SrTiO₃ were investigated by a series density functional theory (DFT) calculation. Analyses primarily initially focused on the effects of doping and co-doping with Lanthanum (La) followed by systematic investigations of the impact of transition metal (TM) doping with Scandium Chromium, Cobalt and Iridium (Sc, Cr, Co, Ir) an finally co-doping with La and the TM elements. Co-doping leads to a reduction in the bandgap energy and a shift in the bandgap region, making the material more suitable for photo-catalysis. Structures singly-substituted with La, Sc, Cr, Co, and Ir primarily absorbed light in the ultraviolet region, which limits their use in light-based devices. However, SrTiO₃ systems co-doped with La-Ir exhibited significant absorption in the visible region (∼400–750 nm). The co-doped SrTiO₃ maximizes solar light utilization, making it well-suited for applications such as solar cells. Our study sheds light into the optical properties of doped SrTiO₃, highlighting its potential for practical use in solar energy conversion.

{"title":"Photocatalytic properties of SrTiO₃ – Impact of (Co-)doping with Sc, Cr, Co, Ir and La","authors":"Azeem Ghulam Nabi , Maryam Hayat , Shahbaz Khan , Salman Nazir , Akhtar Hussain , Aman-ur-Rehman , Gregory A. Chass , Devis Di Tommaso","doi":"10.1016/j.nxmate.2025.100545","DOIUrl":"10.1016/j.nxmate.2025.100545","url":null,"abstract":"<div><div>The optical properties of doped SrTiO<sub>3</sub> are crucial for solar energy conversion due to their correlation with their efficacy to absorb and convert sunlight to energy. In this study, the impact of La, Co, Cr, Sc, and Ir substitutions on the structural, optical, electrical, and photocatalytic properties of SrTiO<sub>3</sub> were investigated by a series density functional theory (DFT) calculation. Analyses primarily initially focused on the effects of doping and co-doping with Lanthanum (La) followed by systematic investigations of the impact of transition metal (TM) doping with Scandium Chromium, Cobalt and Iridium (Sc, Cr, Co, Ir) an finally co-doping with La and the TM elements. Co-doping leads to a reduction in the bandgap energy and a shift in the bandgap region, making the material more suitable for photo-catalysis. Structures singly-substituted with La, Sc, Cr, Co, and Ir primarily absorbed light in the ultraviolet region, which limits their use in light-based devices. However, SrTiO₃ systems co-doped with La-Ir exhibited significant absorption in the visible region (∼400–750 nm). The co-doped SrTiO₃ maximizes solar light utilization, making it well-suited for applications such as solar cells. Our study sheds light into the optical properties of doped SrTiO₃, highlighting its potential for practical use in solar energy conversion.</div></div>","PeriodicalId":100958,"journal":{"name":"Next Materials","volume":"8 ","pages":"Article 100545"},"PeriodicalIF":0.0,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143430263","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Visible light-driven GO/Ag-ZnO ternary composites for enhanced photocatalytic degradation of amoxicillin and their antibacterial potential

Next Materials

Pub Date : 2025-02-17 DOI: 10.1016/j.nxmate.2025.100544

Van-Phu Vu , Nguyen Thi Le Na , Minh Thuy Luong , Nguyen Duc Toan , Ngoc Anh Tran Thi , Thi Thu Nguyen , Manh Ha Hoang , Long Duc Nguyen , Khanh Ly Dao , Thanh Binh Nguyen , Cong Doanh Sai

This study presents a simple process for fabricating a seri composite x%GO/Ag-ZnO (x: 0; 3; 5; 10; 15; 20) structure for applications in antibiotic degradation and antibacterial activity. The samples' morphology, structure, and optical properties are analyzed using scanning electron microscopy (SEM), X-ray diffraction (XRD), and UV-Vis absorption spectroscopy techniques. The antibiotic degradation ability of the fabricated samples is evaluated under visible light. The results show that the photocatalytic activity is influenced by the GO concentration in the samples. The best photocatalytic activity is observed in the 10 %GO/Ag-ZnO sample, achieving an antibiotic degradation efficiency of up to 85 % after 90 min of illumination. The fabricated sample demonstrates reusability for antibiotic degradation over five cycles, maintaining an efficiency of more than 78 %. Notably, the GO/Ag-ZnO sample exhibits superior antibacterial activity compared to the Ag-ZnO sample at the same concentration.

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