Pub Date : 2024-11-02DOI: 10.1016/j.materresbull.2024.113172
Asad Ali , Farhana Akbar Mangrio , Bingyan Qu , Amin ur Rashid , Syed Aamir Hussain , Lixin Zhu , Yuxian Shen , Lei Chen
The selenide-based Van der Waals heterojunctions show great potential for the next generation of photoelectronic nanodevices. Herein, we construct a 2D photoanode nanocatalyst that consists of ZnSe nanocrystals with exposed active surfaces coupled with few-layered InSe nanosheets decorated by Au nanoparticles. The resultant ZnSe/AuNPs@InSe multi-heterojunction photoanode demonstrates an outstanding photocurrent density of 4.86 mAcm−2 under AM 1.5 G simulated sunlight (100 mWcm−2), which is 8 times greater than that of the pristine InSe photoanode (0.61 mAcm−2). Moreover, the lifetime of photogenerated charge carriers is extended by a factor of 3. This significant enhancement in photoelectrochemical water splitting in the near-infrared region is attributed to the surface plasmonic effect produced by the modification of Au NPs when bulk InSe is exfoliated into multi-layered flakes. The interfacial coupling effects on carrier transfer dynamics, as revealed by impedance spectroscopy assisted with the First-Principal calculations, show that this photoanode significantly minimizes the internal resistance, boosts the charge carrier separation efficiency, and promotes water oxidation.
{"title":"Advanced plasmonic few-layered InSe nanosheet heterojunctions for enhanced photoelectrochemical water splitting","authors":"Asad Ali , Farhana Akbar Mangrio , Bingyan Qu , Amin ur Rashid , Syed Aamir Hussain , Lixin Zhu , Yuxian Shen , Lei Chen","doi":"10.1016/j.materresbull.2024.113172","DOIUrl":"10.1016/j.materresbull.2024.113172","url":null,"abstract":"<div><div>The selenide-based Van der Waals heterojunctions show great potential for the next generation of photoelectronic nanodevices. Herein, we construct a 2D photoanode nanocatalyst that consists of ZnSe nanocrystals with exposed active surfaces coupled with few-layered InSe nanosheets decorated by Au nanoparticles. The resultant ZnSe/AuNPs@InSe multi-heterojunction photoanode demonstrates an outstanding photocurrent density of 4.86 mAcm<sup>−2</sup> under AM 1.5 G simulated sunlight (100 mWcm<sup>−2</sup>), which is 8 times greater than that of the pristine InSe photoanode (0.61 mAcm<sup>−2</sup>). Moreover, the lifetime of photogenerated charge carriers is extended by a factor of 3. This significant enhancement in photoelectrochemical water splitting in the near-infrared region is attributed to the surface plasmonic effect produced by the modification of Au NPs when bulk InSe is exfoliated into multi-layered flakes. The interfacial coupling effects on carrier transfer dynamics, as revealed by impedance spectroscopy assisted with the First-Principal calculations, show that this photoanode significantly minimizes the internal resistance, boosts the charge carrier separation efficiency, and promotes water oxidation.</div></div>","PeriodicalId":18265,"journal":{"name":"Materials Research Bulletin","volume":"182 ","pages":"Article 113172"},"PeriodicalIF":5.3,"publicationDate":"2024-11-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142651475","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-10-30DOI: 10.1016/j.materresbull.2024.113166
Jongyun Choi , Wonjong Jung , Ji Chul Jung
This study introduces a novel approach for synthesizing supercapacitor electrode materials using polyethylene terephthalate (PET), a plastic facing recycling challenges. Unlike conventional methods that involve separate carbonization and activation steps, we employ a single-step method. In this process, activated carbons are synthesized using potassium hydroxide (KOH) as an activating agent. Remarkably, the yield via the single-step method (S_PACXs) exceeds that of the two-step method (T_PACYs) by at least 1.7 times. During the single-step process, KOH forms a layer on the PET surface before activation, which leads to increased yields, higher specific surface areas, and more developed mesopores. Furthermore, S_PACXs exhibit superior specific surface areas compared to commercial activated carbon. These enhanced properties significantly improve electrochemical performance, with S_PACXs demonstrating superior performance compared to T_PACYs. Ultimately, this study validates the efficiency of the single-step method in producing high-quality activated carbon from PET, saving time and energy, and outperforming the two-step method.
本研究介绍了一种利用聚对苯二甲酸乙二醇酯(PET)合成超级电容器电极材料的新方法,PET 是一种面临回收挑战的塑料。与涉及单独碳化和活化步骤的传统方法不同,我们采用的是单步法。在这一过程中,活性碳是用氢氧化钾(KOH)作为活化剂合成的。值得注意的是,单步法(S_PACXs)的产率比两步法(T_PACYs)高出至少 1.7 倍。在单步工艺中,KOH 在活化前会在 PET 表面形成一层,从而提高了产率,增加了比表面积,并使中孔更加发达。此外,与商用活性炭相比,S_PACX 表现出更大的比表面积。这些增强的特性大大提高了电化学性能,与 T_PACYs 相比,S_PACXs 表现出更优越的性能。最终,这项研究验证了单步法从 PET 中生产高质量活性炭的效率,节省了时间和能源,性能优于两步法。
{"title":"Efficient production of activated carbons from PET for organic supercapacitor applications: A single-step approach","authors":"Jongyun Choi , Wonjong Jung , Ji Chul Jung","doi":"10.1016/j.materresbull.2024.113166","DOIUrl":"10.1016/j.materresbull.2024.113166","url":null,"abstract":"<div><div>This study introduces a novel approach for synthesizing supercapacitor electrode materials using polyethylene terephthalate (PET), a plastic facing recycling challenges. Unlike conventional methods that involve separate carbonization and activation steps, we employ a single-step method. In this process, activated carbons are synthesized using potassium hydroxide (KOH) as an activating agent. Remarkably, the yield via the single-step method (S_PACXs) exceeds that of the two-step method (T_PACYs) by at least 1.7 times. During the single-step process, KOH forms a layer on the PET surface before activation, which leads to increased yields, higher specific surface areas, and more developed mesopores. Furthermore, S_PACXs exhibit superior specific surface areas compared to commercial activated carbon. These enhanced properties significantly improve electrochemical performance, with S_PACXs demonstrating superior performance compared to T_PACYs. Ultimately, this study validates the efficiency of the single-step method in producing high-quality activated carbon from PET, saving time and energy, and outperforming the two-step method.</div></div>","PeriodicalId":18265,"journal":{"name":"Materials Research Bulletin","volume":"182 ","pages":"Article 113166"},"PeriodicalIF":5.3,"publicationDate":"2024-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142553500","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-10-28DOI: 10.1016/j.materresbull.2024.113168
M. Gagana , B.R. Radha Krushna , S.C. Sharma , Liza Mohapatra , T. Sivashanmugam , C. Kritika , B. Sargunam , Augustine George , N. Hanumantharaju , K. Manjunatha , Sheng Yun Wu , H. Nagabhushana
A novel Cr3+ doped ZnAl2O4 is synthesized by grafting carbon dots (CDs) and chloride fluxes (NaCl, KCl, NH4Cl) through the solid-state reaction method. Upon excitation at 530 nm wavelength, the Cr3+ ions in the ZAO NPs emit red light due to the influence of a strong crystal field. This red emission arises from the electric dipole 2Eg→4A2g of the Cr3+ ions. Among the chloride fluxes examined, NH4Cl had a significant impact on the PL intensity. Notably, when CDs are incorporated into the ZAO:7Cr3+/NH4Cl NPs, a remarkable increase of 17.25-folds in photoluminescence (PL) intensity is observed. This enhancement is substantially higher than that of CDs alone (11.23-folds) and NH4Cl alone (3.82-folds). The increased PL intensity is attributed to the Förster resonance energy transfer (FRET) mechanism. Furthermore, the addition of CDs (5 wt.%) enhanced the colour purity (CP) of ZAO:7Cr3+/NH4Cl NCs to 99.8%, achieving a high Internal quantum efficiency (IQE) of 93.4 %. Notably, the CDs (5 wt.%)@ZAO:7Cr3+/NH4Cl NCs maintained 92.43 % of their emission intensity even at 420 K, demonstrating exceptional thermal stability compared to ZAO:7Cr3+ NPs. Moreover, the NPs holds promise for optical thermometry, boasting a high relative sensitivity (Sr) of 6.74 × 10–2 %K-1 across a temperature range spanning from 300 to 480 K. Moreover, the latent fingerprints (LFPs) developed using CDs(5 wt.%)@ZAO:7Cr3+/NH4Cl NCs demonstrate remarkable selectivity and high contrast. Under UV irradiation, the structural features of LFPs at levels I–III are clearly visible. In addition, the strong red fluorescence emitted by CDs(5 wt.%)@ZAO:7Cr3+/NH4Cl NCs makes them suitable for applications in AC. CDs(5 wt.%)@ZAO:7Cr3+ NCs exhibit significant potential for w-LED fabrication, achieving a correlated colour temperature (CCT) of 5517 K, a CIE coordinate of (0.332, 0.331), and a high colour rendering index (CRI) of Ra = 94, outperforming ZAO:7Cr3+/NH4Cl NPs. Overall results clearly demonstrates that, CDs(5 wt.%)@ZAO:7Cr3+/NH4Cl NCs are effective for applications in optical thermometry, dactyloscopy, w-LEDs, and AC.
{"title":"Comparative investigation on carbon dots and chloride fluxes modified ZnAl2O4:Cr3+ nanophosphors for temperature sensing, cutting-edge forensic, anti-counterfeiting and w-LEDs applications","authors":"M. Gagana , B.R. Radha Krushna , S.C. Sharma , Liza Mohapatra , T. Sivashanmugam , C. Kritika , B. Sargunam , Augustine George , N. Hanumantharaju , K. Manjunatha , Sheng Yun Wu , H. Nagabhushana","doi":"10.1016/j.materresbull.2024.113168","DOIUrl":"10.1016/j.materresbull.2024.113168","url":null,"abstract":"<div><div>A novel Cr<sup>3+</sup> doped ZnAl<sub>2</sub>O<sub>4</sub> is synthesized by grafting carbon dots (CDs) and chloride fluxes (NaCl, KCl, NH<sub>4</sub>Cl) through the solid-state reaction method. Upon excitation at 530 nm wavelength, the Cr<sup>3+</sup> ions in the ZAO NPs emit red light due to the influence of a strong crystal field. This red emission arises from the electric dipole <sup>2</sup>E<sub>g</sub>→<sup>4</sup>A<sub>2</sub><sub>g</sub> of the Cr<sup>3+</sup> ions. Among the chloride fluxes examined, NH<sub>4</sub>Cl had a significant impact on the PL intensity. Notably, when CDs are incorporated into the ZAO:7Cr<sup>3+</sup>/NH<sub>4</sub>Cl NPs, a remarkable increase of 17.25-folds in photoluminescence (PL) intensity is observed. This enhancement is substantially higher than that of CDs alone (11.23-folds) and NH4Cl alone (3.82-folds). The increased PL intensity is attributed to the Förster resonance energy transfer (FRET) mechanism. Furthermore, the addition of CDs (5 wt.%) enhanced the colour purity (CP) of ZAO:7Cr<sup>3+</sup>/NH<sub>4</sub>Cl NCs to 99.8%, achieving a high Internal quantum efficiency (<em>I</em><sub><em>QE</em></sub>) of 93.4 %. Notably, the CDs (5 wt.%)@ZAO:7Cr<sup>3+</sup>/NH<sub>4</sub>Cl NCs maintained 92.43 % of their emission intensity even at 420 K, demonstrating exceptional thermal stability compared to ZAO:7Cr<sup>3+</sup> NPs. Moreover, the NPs holds promise for optical thermometry, boasting a high relative sensitivity (S<sub>r</sub>) of 6.74 × 10<sup>–2</sup> %K<sup>-1</sup> across a temperature range spanning from 300 to 480 K. Moreover, the latent fingerprints (LFPs) developed using CDs(5 wt.%)@ZAO:7Cr<sup>3+</sup>/NH<sub>4</sub>Cl NCs demonstrate remarkable selectivity and high contrast. Under UV irradiation, the structural features of LFPs at levels I–III are clearly visible. In addition, the strong red fluorescence emitted by CDs(5 wt.%)@ZAO:7Cr<sup>3+</sup>/NH<sub>4</sub>Cl NCs makes them suitable for applications in AC. CDs(5 wt.%)@ZAO:7Cr<sup>3+</sup> NCs exhibit significant potential for w-LED fabrication, achieving a correlated colour temperature (CCT) of 5517 K, a CIE coordinate of (0.332, 0.331), and a high colour rendering index (CRI) of R<sub>a</sub> = 94, outperforming ZAO:7Cr<sup>3+</sup>/NH<sub>4</sub>Cl NPs. Overall results clearly demonstrates that, CDs(5 wt.%)@ZAO:7Cr<sup>3+</sup>/NH<sub>4</sub>Cl NCs are effective for applications in optical thermometry, dactyloscopy, w-LEDs, and AC.</div></div>","PeriodicalId":18265,"journal":{"name":"Materials Research Bulletin","volume":"182 ","pages":"Article 113168"},"PeriodicalIF":5.3,"publicationDate":"2024-10-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142572581","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-10-28DOI: 10.1016/j.materresbull.2024.113170
Keju Ren , Yiwen Ding , Chen Chen , Gang Meng , Huan Li , Guiyun Sun , Xiaoling Deng , Rongli Gao
In this paper, CoFe2O4 and CoFe2O4@BaTiO3 (CFO@BTO) particles were prepared by hydrothermal method and sol-gel method, and the CFO@BTO multiferroic fluids with different surfactants were prepared by ball milling method, respectively. The stability, electric properties, and magnetoelectric coupling properties were investigated. From the XRD experimental results, the pure phase CFO@BTO composite particles were successfully prepared, and the HETEM images verified the core-shell structure. When the surfactant was 3-aminopropyltriethoxysilane, it had a good stability with a sedimentation rate of 4.6 % after 48 h From the dielectric constant as a function of frequency, the average value of the dielectric constant was 4.41. The saturated polarization strength was 8.33 nC/cm2 and the residual polarization strength was 0.91 nC/cm2 as shown in the hysteresis loop. In addition, it had a larger magnetodielectric coefficient (1.54 %) and magnetoelectric coupling coefficient (18.07 V/(cm·Oe)), which provide ideas to further enhance the magnetoelectric coupling effect.
{"title":"Synthesis of a magneto electric fluid based on a core shell architecture of Cobalt ferrite and Barium Titanate","authors":"Keju Ren , Yiwen Ding , Chen Chen , Gang Meng , Huan Li , Guiyun Sun , Xiaoling Deng , Rongli Gao","doi":"10.1016/j.materresbull.2024.113170","DOIUrl":"10.1016/j.materresbull.2024.113170","url":null,"abstract":"<div><div>In this paper, CoFe<sub>2</sub>O<sub>4</sub> and CoFe<sub>2</sub>O<sub>4</sub>@BaTiO<sub>3</sub> (CFO@BTO) particles were prepared by hydrothermal method and sol-gel method, and the CFO@BTO multiferroic fluids with different surfactants were prepared by ball milling method, respectively. The stability, electric properties, and magnetoelectric coupling properties were investigated. From the XRD experimental results, the pure phase CFO@BTO composite particles were successfully prepared, and the HETEM images verified the core-shell structure. When the surfactant was 3-aminopropyltriethoxysilane, it had a good stability with a sedimentation rate of 4.6 % after 48 h From the dielectric constant as a function of frequency, the average value of the dielectric constant was 4.41. The saturated polarization strength was 8.33 nC/cm<sup>2</sup> and the residual polarization strength was 0.91 nC/cm<sup>2</sup> as shown in the hysteresis loop. In addition, it had a larger magnetodielectric coefficient (1.54 %) and magnetoelectric coupling coefficient (18.07 V/(cm·Oe)), which provide ideas to further enhance the magnetoelectric coupling effect.</div></div>","PeriodicalId":18265,"journal":{"name":"Materials Research Bulletin","volume":"182 ","pages":"Article 113170"},"PeriodicalIF":5.3,"publicationDate":"2024-10-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142651471","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The splitting of water using photoelectrochemical (PEC) processes is a promising method for generating renewable hydrogen. However, the practical efficiency of converting solar energy to fuel in PEC systems remains limited by inadequate light absorption and the swift recombination of photogenerated charge carriers within the photoelectrode material. In our research, we present a photoanode that addresses these challenges. In this work, we report on the electrophoretic deposition of nickel–aluminum layered double hydroxide (NiAl-LDH) under different voltages onto anodic TiO2 nanotube arrays (TNTAs) as a convenient and economically viable fabrication route of versatile and durable photoanodes. PEC and optical spectroscopy examinations, including linear sweep voltammetry, electrochemical impedance spectroscopy, Mott-Schottky plots, and diffuse reflectance spectroscopy, reveal that NiAl-LDH/TNTAs composites exhibit a superior enhancement of visible light absorption and consequently water splitting photocurrent. We interpret the improvement of PEC water splitting performance of the NiAl-LDH/TNTAs with the band structure speculated by the binding energy and the flat-band potential and band-gap measurements which features this nanocomposite as a novel photocatalyst for future hydrogen energy applications.
{"title":"Boosted photoelectrochemical activity of anodic titanium dioxide nanotubes by electrophoretically decorated nickel–aluminum layered double hydroxide","authors":"Farzad Nasirpouri , Leila Jafari-Foruzin , Amirali Farmani , Hasan Yadipour , Naeimeh-Sadat Peighambardoust","doi":"10.1016/j.materresbull.2024.113167","DOIUrl":"10.1016/j.materresbull.2024.113167","url":null,"abstract":"<div><div>The splitting of water using photoelectrochemical (PEC) processes is a promising method for generating renewable hydrogen. However, the practical efficiency of converting solar energy to fuel in PEC systems remains limited by inadequate light absorption and the swift recombination of photogenerated charge carriers within the photoelectrode material. In our research, we present a photoanode that addresses these challenges. In this work, we report on the electrophoretic deposition of nickel–aluminum layered double hydroxide (NiAl-LDH) under different voltages onto anodic TiO<sub>2</sub> nanotube arrays (TNTAs) as a convenient and economically viable fabrication route of versatile and durable photoanodes. PEC and optical spectroscopy examinations, including linear sweep voltammetry, electrochemical impedance spectroscopy, Mott-Schottky plots, and diffuse reflectance spectroscopy, reveal that NiAl-LDH/TNTAs composites exhibit a superior enhancement of visible light absorption and consequently water splitting photocurrent. We interpret the improvement of PEC water splitting performance of the NiAl-LDH/TNTAs with the band structure speculated by the binding energy and the flat-band potential and band-gap measurements which features this nanocomposite as a novel photocatalyst for future hydrogen energy applications.</div></div>","PeriodicalId":18265,"journal":{"name":"Materials Research Bulletin","volume":"182 ","pages":"Article 113167"},"PeriodicalIF":5.3,"publicationDate":"2024-10-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142651476","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-10-28DOI: 10.1016/j.materresbull.2024.113169
S. Bouhamidi Alaoui , H. Labrim , A. Al Shami , M. Benaissa , R. Mghaiouini , R. El Bouayadi
Mixed halide inorganic perovskites represent a significant advance in energy conversion materials, with research on these materials paving the way for more sustainable and accessible energy solutions. In this work we investigated the effects of chlorine atom substitution on the structural, electronic, optical and thermoelectric properties of mixed halide perovskites FrSnI3-xClx (x = 0, 1, 2, 3). The FP-LAPW approach within the Wien2k package has been employed, using the modified Becke-Johnson potential (TB-mBJ) for the exchange correlation functionals. For FrSnI3 and FrSnCl3 the calculated lattice parameters are in good agreement with theoretical results.The formation energies calculated for FrSnI3-xClx (x = 0, 1, 2, 3) confirm the thermodynamic stability of all these materials. Analysis of the electronic properties, including partial density of states (PDOS), total density of states (TDOS) and band structures, indicates that these materials exhibit p-type semiconductor behaviour with direct band gaps ranging from 1.169 to 1.953 eV In terms of optical properties, the FrSnI3-xClx compounds exhibit high optical absorption (α(ω) > 104 cm−1) in the visible region. The broad absorption range extends from visible to ultraviolet energy. The low reflectivity values observed (below 30 %) and their minimal energy loss suggest potential applications in optoelectronic devices. The thermoelectric properties of these materials were also studied over a temperature range of 100 to 950 K. They exhibit high Seebeck coefficients, high electrical conductivity, and low thermal conductivity. Notably, at room temperature, FrSnI2Cl and FrSnICl2 show the highest figures of merit, reaching 1.31 and 0.61, respectively, demonstrating their high efficiency for thermoelectric devices
{"title":"Structural, electronic, optical and thermoelectric properties of FrSnI3-xClx (X=0, 1, 2, 3) perovskites using the TB-mBJ approach","authors":"S. Bouhamidi Alaoui , H. Labrim , A. Al Shami , M. Benaissa , R. Mghaiouini , R. El Bouayadi","doi":"10.1016/j.materresbull.2024.113169","DOIUrl":"10.1016/j.materresbull.2024.113169","url":null,"abstract":"<div><div>Mixed halide inorganic perovskites represent a significant advance in energy conversion materials, with research on these materials paving the way for more sustainable and accessible energy solutions. In this work we investigated the effects of chlorine atom substitution on the structural, electronic, optical and thermoelectric properties of mixed halide perovskites FrSnI<sub>3-x</sub>Cl<sub>x</sub> (<em>x</em> = 0, 1, 2, 3). The FP-LAPW approach within the Wien2k package has been employed, using the modified Becke-Johnson potential (TB-mBJ) for the exchange correlation functionals. For FrSnI<sub>3</sub> and FrSnCl<sub>3</sub> the calculated lattice parameters are in good agreement with theoretical results.The formation energies calculated for FrSnI<sub>3-x</sub>Cl<sub>x</sub> (<em>x</em> = 0, 1, 2, 3) confirm the thermodynamic stability of all these materials. Analysis of the electronic properties, including partial density of states (PDOS), total density of states (TDOS) and band structures, indicates that these materials exhibit p-type semiconductor behaviour with direct band gaps ranging from 1.169 to 1.953 eV In terms of optical properties, the FrSnI<sub>3-x</sub>Cl<sub>x</sub> compounds exhibit high optical absorption (α(ω) > 10<sup>4</sup> cm<sup>−1</sup>) in the visible region. The broad absorption range extends from visible to ultraviolet energy. The low reflectivity values observed (below 30 %) and their minimal energy loss suggest potential applications in optoelectronic devices. The thermoelectric properties of these materials were also studied over a temperature range of 100 to 950 K. They exhibit high Seebeck coefficients, high electrical conductivity, and low thermal conductivity. Notably, at room temperature, FrSnI<sub>2</sub>Cl and FrSnICl<sub>2</sub> show the highest figures of merit, reaching 1.31 and 0.61, respectively, demonstrating their high efficiency for thermoelectric devices</div></div>","PeriodicalId":18265,"journal":{"name":"Materials Research Bulletin","volume":"182 ","pages":"Article 113169"},"PeriodicalIF":5.3,"publicationDate":"2024-10-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142593411","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-10-24DOI: 10.1016/j.materresbull.2024.113165
Nabaa Bouzidia , Besma Hamdi , Francesco Capitelli
A novel organic-inorganic metallo-phosphate complex, CoF2(H2O)Fe(C10H8N2)(HPO4)2, obtained through hydrothermal method, was characterized via single-crystal X-ray diffraction, infrared and Raman spectroscopies, and thermogravimetric analysis. UV and photoluminescence spectroscopy were used to determine the optical properties. Structural study revealed a metal-organic framework (MOF), with iron and cobalt octahedra and phosphate tetrahedra, and a (2,2′‒bipyridine) coordinated by Fe octahedron. These moieties form chains, connected via π−π and H bonds. In order to assess the structural stability and interactions between atoms, a crystal contact study was carried out through Hirshfeld surface analysis and 2D fingerprint diagrams, to investigate the tendency of intermolecular interactions to form crystal packing by using enrichment ratio. To better examine the structure, theoretical studies were carried out using density functional theory, followed by a detailed examination of atoms in molecules using the bond critical point approach. The material revealed clear fluorescence after excitation at 285 nm, with intense emission in the violet.
通过单晶 X 射线衍射、红外光谱、拉曼光谱和热重分析,对通过水热法获得的新型有机-无机金属磷酸盐配合物 CoF2(H2O)Fe(C10H8N2)(HPO4)2 进行了表征。紫外光谱和光致发光光谱用于测定其光学特性。结构研究揭示了一种金属有机框架(MOF),其中有铁、钴八面体和磷酸盐四面体,以及由铁八面体配位的(2,2′-联吡啶)。这些分子通过 π-π 和 H 键连接成链。为了评估结构的稳定性和原子间的相互作用,通过 Hirshfeld 表面分析和二维指纹图进行了晶体接触研究,利用富集比研究分子间相互作用形成晶体堆积的趋势。为了更好地研究结构,还使用密度泛函理论进行了理论研究,随后使用键临界点方法对分子中的原子进行了详细研究。该材料在 285 纳米波长下激发后发出清晰的荧光,并在紫罗兰色下发出强烈的荧光。
{"title":"A novel phosphate-based metal-organic framework: Synthesis and comprehensive structural characterization","authors":"Nabaa Bouzidia , Besma Hamdi , Francesco Capitelli","doi":"10.1016/j.materresbull.2024.113165","DOIUrl":"10.1016/j.materresbull.2024.113165","url":null,"abstract":"<div><div>A novel organic-inorganic metallo-phosphate complex, CoF<sub>2</sub>(H<sub>2</sub>O)Fe(C<sub>10</sub>H<sub>8</sub>N<sub>2</sub>)(HPO<sub>4</sub>)<sub>2</sub>, obtained through hydrothermal method, was characterized via single-crystal X-ray diffraction, infrared and Raman spectroscopies, and thermogravimetric analysis. UV and photoluminescence spectroscopy were used to determine the optical properties. Structural study revealed a metal-organic framework (MOF), with iron and cobalt octahedra and phosphate tetrahedra, and a (2,2′‒bipyridine) coordinated by Fe octahedron. These moieties form chains, connected via π−π and H bonds. In order to assess the structural stability and interactions between atoms, a crystal contact study was carried out through Hirshfeld surface analysis and 2D fingerprint diagrams, to investigate the tendency of intermolecular interactions to form crystal packing by using enrichment ratio. To better examine the structure, theoretical studies were carried out using density functional theory, followed by a detailed examination of atoms in molecules using the bond critical point approach. The material revealed clear fluorescence after excitation at 285 nm, with intense emission in the violet.</div></div>","PeriodicalId":18265,"journal":{"name":"Materials Research Bulletin","volume":"182 ","pages":"Article 113165"},"PeriodicalIF":5.3,"publicationDate":"2024-10-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142553503","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-10-23DOI: 10.1016/j.materresbull.2024.113163
Xingjin Zhang , Zeyu Sun , Luping Shen , Hongwei He , An Cai , XiuYu Loh , Lihong Qin , Xiaobin Fan , Wenchao Peng , Yang Li
In this study, cobalt-nanoparticles-decorated N-doped carbon aerogels (CoZn@NCA) with well-developed porosity are fabricated through a straightforward sol-gel technique followed by pyrolysis. Chitosan serves as the carbon and nitrogen precursor in the synthesis process, while zinc nitrate acts as a barrier agent promoting the dispersion of cobalt nanoparticles. The CoZn@NCA catalyst demonstrates high activity in the transfer hydrogenation of nitrobenzene with hydrazine hydrate (N2H4·H2O) being used as the hydrogen source. The CoZn@NCA catalyst calcined at 700 °C shows the highest Co0 and graphitic nitrogen content, where both of them synergistically contribute to its superior activity. The CoZn@NCA catalyst delivers an impressive catalytic activity in the conversion of nitrobenzene at 99.78 % and amine selectivity of 99.59 % at 60 °C with 4 equivalents of N2H4·H2O in hexane. A reaction pathway is proposed whereby the transfer hydrogenation of nitrobenzene catalyzed by CoZn@NCA via the indirect pathway involving azobenzene and azoxybenzene as the reaction intermediates.
{"title":"Synergic catalytic effect of Co nanoparticles and graphitic N on carbon aerogels towards transfer hydrogenation of nitrobenzene","authors":"Xingjin Zhang , Zeyu Sun , Luping Shen , Hongwei He , An Cai , XiuYu Loh , Lihong Qin , Xiaobin Fan , Wenchao Peng , Yang Li","doi":"10.1016/j.materresbull.2024.113163","DOIUrl":"10.1016/j.materresbull.2024.113163","url":null,"abstract":"<div><div>In this study, cobalt-nanoparticles-decorated N-doped carbon aerogels (CoZn@NCA) with well-developed porosity are fabricated through a straightforward sol-gel technique followed by pyrolysis. Chitosan serves as the carbon and nitrogen precursor in the synthesis process, while zinc nitrate acts as a barrier agent promoting the dispersion of cobalt nanoparticles. The CoZn@NCA catalyst demonstrates high activity in the transfer hydrogenation of nitrobenzene with hydrazine hydrate (N<sub>2</sub>H<sub>4</sub>·H<sub>2</sub>O) being used as the hydrogen source. The CoZn@NCA catalyst calcined at 700 °C shows the highest Co<sup>0</sup> and graphitic nitrogen content, where both of them synergistically contribute to its superior activity. The CoZn@NCA catalyst delivers an impressive catalytic activity in the conversion of nitrobenzene at 99.78 % and amine selectivity of 99.59 % at 60 °C with 4 equivalents of N<sub>2</sub>H<sub>4</sub>·H<sub>2</sub>O in hexane. A reaction pathway is proposed whereby the transfer hydrogenation of nitrobenzene catalyzed by CoZn@NCA <em>via</em> the indirect pathway involving azobenzene and azoxybenzene as the reaction intermediates.</div></div>","PeriodicalId":18265,"journal":{"name":"Materials Research Bulletin","volume":"182 ","pages":"Article 113163"},"PeriodicalIF":5.3,"publicationDate":"2024-10-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142572580","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-10-23DOI: 10.1016/j.materresbull.2024.113164
José A. Jiménez, Richard Amesimenu
This paper reports on the physical and optical properties of phosphate glasses containing red-emitting Mn2+ and near-infrared (NIR)-emitting Yb3+ ions of interest for solar spectral conversion. The glasses were prepared by melting with 50P2O5-(48 – x)BaCO3–2Yb2O3-xMnCO3 (x = 0, 1, 2, 3, 4 mol%) formulas, and characterized by X-ray diffraction (XRD), Fourier transform-infrared (FT-IR) spectroscopy, differential scanning calorimetry (DSC), UV–Vis-NIR spectrophotometry, and photoluminescence (PL) spectroscopy. The glasses were X-ray amorphous with the various characteristic features of phosphate glasses being evident in the FT-IR spectra. The thermal properties of the co-doped glasses assessed by DSC appeared similar despite the variation in manganese content. The optical absorption spectra supported the occurrence of Mn2+ ions while Mn3+ was detected at high MnCO3 content. The NIR absorption due to Yb3+ ions was nonetheless consistent with the fixed Yb2O3 content. The PL evaluation showed that sensitized Yb3+PL was attained under Mn2+excitation at 410 nm where the NIR emission increased with MnCO3 content in connection with Mn2+→ Yb3+ energy transfer. However, the NIR emission output realized with 4 mol% MnCO3 was just marginally higher than the obtained with 3 mol% MnCO3. On the other hand, the red Mn2+emission was highest for 3 mol% MnCO3. Thus, considering the optimized red and NIR emissions while minimizing absorption by Mn3+, the Yb-containing glass melted with 3 mol% MnCO3 was put in perspective with the concept of solar spectral conversion.
{"title":"Yb3+-activated phosphate glasses melted with MnCO3 for solar spectral conversion","authors":"José A. Jiménez, Richard Amesimenu","doi":"10.1016/j.materresbull.2024.113164","DOIUrl":"10.1016/j.materresbull.2024.113164","url":null,"abstract":"<div><div>This paper reports on the physical and optical properties of phosphate glasses containing red-emitting Mn<sup>2+</sup> and near-infrared (NIR)-emitting Yb<sup>3+</sup> ions of interest for solar spectral conversion. The glasses were prepared by melting with 50P<sub>2</sub>O<sub>5</sub>-(48 – <em>x</em>)BaCO<sub>3</sub>–2Yb<sub>2</sub>O<sub>3</sub>-<em>x</em>MnCO<sub>3</sub> (<em>x</em> = 0, 1, 2, 3, 4 mol%) formulas, and characterized by X-ray diffraction (XRD), Fourier transform-infrared (FT-IR) spectroscopy, differential scanning calorimetry (DSC), UV–Vis-NIR spectrophotometry, and photoluminescence (PL) spectroscopy. The glasses were X-ray amorphous with the various characteristic features of phosphate glasses being evident in the FT-IR spectra. The thermal properties of the co-doped glasses assessed by DSC appeared similar despite the variation in manganese content. The optical absorption spectra supported the occurrence of Mn<sup>2+</sup> ions while Mn<sup>3+</sup> was detected at high MnCO<sub>3</sub> content. The NIR absorption due to Yb<sup>3+</sup> ions was nonetheless consistent with the fixed Yb<sub>2</sub>O<sub>3</sub> content. The PL evaluation showed that sensitized Yb<sup>3+</sup>PL was attained under Mn<sup>2+</sup>excitation at 410 nm where the NIR emission increased with MnCO<sub>3</sub> content in connection with Mn<sup>2+</sup>→ Yb<sup>3+</sup> energy transfer. However, the NIR emission output realized with 4 mol% MnCO<sub>3</sub> was just marginally higher than the obtained with 3 mol% MnCO<sub>3</sub>. On the other hand, the red Mn<sup>2+</sup>emission was highest for 3 mol% MnCO<sub>3</sub>. Thus, considering the optimized red and NIR emissions while minimizing absorption by Mn<sup>3+</sup>, the Yb-containing glass melted with 3 mol% MnCO<sub>3</sub> was put in perspective with the concept of solar spectral conversion.</div></div>","PeriodicalId":18265,"journal":{"name":"Materials Research Bulletin","volume":"182 ","pages":"Article 113164"},"PeriodicalIF":5.3,"publicationDate":"2024-10-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142553501","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-10-23DOI: 10.1016/j.materresbull.2024.113160
Hui-Zhen Li , Juan Cao , Liang-Ming Gao , Qiu-Hao Chen , Jun-Jie Yang , Bo-Kai Liao , Xing-Peng Guo
The aqueous Mg-air battery has promising applications in energy storage system. To improve the discharge performance of the Mg anode, four dicarboxylic acids including oxalic acid, malic acid, succinic acid, adipic acid are used as electrolyte additive for the aqueous Mg-air battery. The influence of the four selected additives and their reaction mechanism are systematically investigated by hydrogen evolution, electrochemical experiments (OCP, half/full-cell test, EIS), SEM, XRD, XPS and DFT calculations. The experiment results demonstrate that the dicarboxylic acid electrolyte additive can active the Mg anode evidently by increasing the hydrogen evolution volume and negative shift of discharge potentials. The surface morphology and the chemical composition analyses demonstrate that the four selected additives can form soluble complexes with Mg2+. The oxalic acid is the best electrolyte additive among the four dicarboxylic acids. The chelating ability of the additives and the pH of the electrolyte both affect the discharge performance of the Mg anode. The mechanism by which the dicarboxylic acids additives improve the discharge performance of the Mg anode is further proved by DFT calculations. It is the soluble Mg2+ complex (MgL, L: dicarboxylate) formed between the additives and the Mg anode that inhibit the formation of the corrosion products and promote the dissolution of the Mg anode, thus enhance the discharge performance of the Mg anode.
{"title":"Improving the discharge performance of aqueous Mg-air battery using dicarboxylic acid additives","authors":"Hui-Zhen Li , Juan Cao , Liang-Ming Gao , Qiu-Hao Chen , Jun-Jie Yang , Bo-Kai Liao , Xing-Peng Guo","doi":"10.1016/j.materresbull.2024.113160","DOIUrl":"10.1016/j.materresbull.2024.113160","url":null,"abstract":"<div><div>The aqueous Mg-air battery has promising applications in energy storage system. To improve the discharge performance of the Mg anode, four dicarboxylic acids including oxalic acid, malic acid, succinic acid, adipic acid are used as electrolyte additive for the aqueous Mg-air battery. The influence of the four selected additives and their reaction mechanism are systematically investigated by hydrogen evolution, electrochemical experiments (OCP, half/full-cell test, EIS), SEM, XRD, XPS and DFT calculations. The experiment results demonstrate that the dicarboxylic acid electrolyte additive can active the Mg anode evidently by increasing the hydrogen evolution volume and negative shift of discharge potentials. The surface morphology and the chemical composition analyses demonstrate that the four selected additives can form soluble complexes with Mg<sup>2+</sup>. The oxalic acid is the best electrolyte additive among the four dicarboxylic acids. The chelating ability of the additives and the pH of the electrolyte both affect the discharge performance of the Mg anode. The mechanism by which the dicarboxylic acids additives improve the discharge performance of the Mg anode is further proved by DFT calculations. It is the soluble Mg<sup>2+</sup> complex (MgL, L: dicarboxylate) formed between the additives and the Mg anode that inhibit the formation of the corrosion products and promote the dissolution of the Mg anode, thus enhance the discharge performance of the Mg anode.</div></div>","PeriodicalId":18265,"journal":{"name":"Materials Research Bulletin","volume":"182 ","pages":"Article 113160"},"PeriodicalIF":5.3,"publicationDate":"2024-10-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142572579","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}