Pub Date : 2025-01-27DOI: 10.1016/j.jpcs.2025.112563
Jiawei Gao , Kaixin Pu , Hengyu Lin, Xiaoqing Zhao
The perovskite-like La0.96Sr0.04NiO3-δ nanozyme with perovskite structure was effectively synthesized by sol-gel method and high temperature calcination method. Through a range of characterization methods, we discovered that doping with trace levels of Sr might alter the surface electron states of La0.96Sr0.04NiO3-δ and increase the quantity of oxygen vacancies. During the reaction phase, La0.96Sr0.04NiO3-δ exhibits excellent peroxidase-like activity in the electron transfer from Sr0 to Ni2+. Peroxidase-like activity served as the basis for the successful establishment of the epinephrine color sensor. This strategy is better than others because of its wide detection range and low detection limit. The result was to the successful construction of an epinephrine smart sensing platform that included cellphones and offered other choices for fast and precise on-site detection.
{"title":"The perovskite-like La0.96Sr0.04NiO3-δ nanozyme based on deep learning assisted colorimetric and intelligent detection for epinephrine","authors":"Jiawei Gao , Kaixin Pu , Hengyu Lin, Xiaoqing Zhao","doi":"10.1016/j.jpcs.2025.112563","DOIUrl":"10.1016/j.jpcs.2025.112563","url":null,"abstract":"<div><div>The perovskite-like La<sub>0.96</sub>Sr<sub>0.04</sub>NiO<sub>3-δ</sub> nanozyme with perovskite structure was effectively synthesized by sol-gel method and high temperature calcination method. Through a range of characterization methods, we discovered that doping with trace levels of Sr might alter the surface electron states of La<sub>0.96</sub>Sr<sub>0.04</sub>NiO<sub>3-δ</sub> and increase the quantity of oxygen vacancies. During the reaction phase, La<sub>0.96</sub>Sr<sub>0.04</sub>NiO<sub>3-δ</sub> exhibits excellent peroxidase-like activity in the electron transfer from Sr<sup>0</sup> to Ni<sup>2+</sup>. Peroxidase-like activity served as the basis for the successful establishment of the epinephrine color sensor. This strategy is better than others because of its wide detection range and low detection limit. The result was to the successful construction of an epinephrine smart sensing platform that included cellphones and offered other choices for fast and precise on-site detection.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"200 ","pages":"Article 112563"},"PeriodicalIF":4.3,"publicationDate":"2025-01-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143102065","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 : 2025-01-27DOI: 10.1016/j.jpcs.2025.112606
Chong Sun , Qi Liu , Wenquan Jiang , Hengrui Qiu , Yongqiang Zhang , Wenxiu He
CuCo2S4 sulfide is directly synthesized on nickel foam (NF) by a two-step solvothermal method. The material forms a nanoparticle array structure on conductive substrate NF. The effects of different morphologies on the electrochemical properties of the conductive and non-conductive CuCo2S4 substrates and the internal mechanism of different components were studied. Various microstructures show that CuCo2S4/NF provides a large open space and a high specific surface area due to the unique nanostructure, as well as the rich porosity of NF and the support of the overall structure, which provides a rich active site for Faraday reaction, ensures the rapid transfer of ions, and provides a larger specific capacitance for bimetal synergy. The CuCo2S4/NF electrode material has A particular capacitance as high as 1013.76 F g−1 at 1 A g−1. In addition, based on the asymmetric supercapacitor composed of CuCo2S4/NF as the positive electrode and activated carbon as the negative electrode, it has a high energy density of 44 Wh kg−1 at a power density of 800.0 W kg−1, and the stability is 88.3 % after 10,000 cycles of 8 A g−1.
{"title":"Construction of CuCo2S4 nanoarrays on nickel foam for synergistic effects in supercapacitor electrodes","authors":"Chong Sun , Qi Liu , Wenquan Jiang , Hengrui Qiu , Yongqiang Zhang , Wenxiu He","doi":"10.1016/j.jpcs.2025.112606","DOIUrl":"10.1016/j.jpcs.2025.112606","url":null,"abstract":"<div><div>CuCo<sub>2</sub>S<sub>4</sub> sulfide is directly synthesized on nickel foam (NF) by a two-step solvothermal method. The material forms a nanoparticle array structure on conductive substrate NF. The effects of different morphologies on the electrochemical properties of the conductive and non-conductive CuCo<sub>2</sub>S<sub>4</sub> substrates and the internal mechanism of different components were studied. Various microstructures show that CuCo<sub>2</sub>S<sub>4</sub>/NF provides a large open space and a high specific surface area due to the unique nanostructure, as well as the rich porosity of NF and the support of the overall structure, which provides a rich active site for Faraday reaction, ensures the rapid transfer of ions, and provides a larger specific capacitance for bimetal synergy. The CuCo<sub>2</sub>S<sub>4</sub>/NF electrode material has A particular capacitance as high as 1013.76 F g<sup>−1</sup> at 1 A g<sup>−1</sup>. In addition, based on the asymmetric supercapacitor composed of CuCo<sub>2</sub>S<sub>4</sub>/NF as the positive electrode and activated carbon as the negative electrode, it has a high energy density of 44 Wh kg<sup>−1</sup> at a power density of 800.0 W kg<sup>−1</sup>, and the stability is 88.3 % after 10,000 cycles of 8 A g<sup>−1</sup>.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"200 ","pages":"Article 112606"},"PeriodicalIF":4.3,"publicationDate":"2025-01-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143102059","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 : 2025-01-26DOI: 10.1016/j.jpcs.2025.112598
Saad Ullah , Masoud Al-Rasheidi , Firoz Khan , J. Fatima Rasheed , Samina Qamar , Qurat ul Ain
In order to address the critical needs for eliminating the hazardous lead from metal halide perovskite solar cells (PSCs), the pursuit of lead-free perovskite alternatives that are both efficient and dependable continues. In the current study, a novel heterojunction configuration was developed and investigated using SCAPS-1D software. This structure consists of an all-inorganic three-dimensional (3D) KSnI3 perovskite layer and a one-dimensional (1D) Sb2S3 hole transport layer (HTL). The investigation encompasses a variety of parameters that can be used to improve the efficiency of PSCs, including the absorber layer thickness, the bulk and interface defect densities, the dopant concentration, the parasitic resistances, the metal work function, and the operating temperature. According to the results, the efficiency of KSnI3–Sb2S3 devices is improved substantially by the reduction of defects density (Nt) at the interface between the perovskites and electron transport layer (ETL). The optimized device demonstrated extraordinary performance, attaining the power conversion efficiency (PCE) value of 19.81 %, an open-circuit voltage (VOC) of 1.28 V, a fill factor (FF) of 85.88 %, and a short-circuit current density (JSC) of 17.98 mA/cm2. The significant promise of the unique 3D/1D KSnI3/Sb2S3 heterojunction architecture for incredibly stable and effective photovoltaic devices is demonstrated by these simulation models.
{"title":"Simulation and optimization of KSnI3/Sb2S3-based heterojunction solar cell","authors":"Saad Ullah , Masoud Al-Rasheidi , Firoz Khan , J. Fatima Rasheed , Samina Qamar , Qurat ul Ain","doi":"10.1016/j.jpcs.2025.112598","DOIUrl":"10.1016/j.jpcs.2025.112598","url":null,"abstract":"<div><div>In order to address the critical needs for eliminating the hazardous lead from metal halide perovskite solar cells (PSCs), the pursuit of lead-free perovskite alternatives that are both efficient and dependable continues. In the current study, a novel heterojunction configuration was developed and investigated using SCAPS-1D software. This structure consists of an all-inorganic three-dimensional (3D) KSnI<sub>3</sub> perovskite layer and a one-dimensional (1D) Sb<sub>2</sub>S<sub>3</sub> hole transport layer (HTL). The investigation encompasses a variety of parameters that can be used to improve the efficiency of PSCs, including the absorber layer thickness, the bulk and interface defect densities, the dopant concentration, the parasitic resistances, the metal work function, and the operating temperature. According to the results, the efficiency of KSnI<sub>3</sub>–Sb<sub>2</sub>S<sub>3</sub> devices is improved substantially by the reduction of defects density (N<sub>t</sub>) at the interface between the perovskites and electron transport layer (ETL). The optimized device demonstrated extraordinary performance, attaining the power conversion efficiency (PCE) value of 19.81 %, an open-circuit voltage (V<sub>OC</sub>) of 1.28 V, a fill factor (FF) of 85.88 %, and a short-circuit current density (J<sub>SC</sub>) of 17.98 mA/cm<sup>2</sup>. The significant promise of the unique 3D/1D KSnI<sub>3</sub>/Sb<sub>2</sub>S<sub>3</sub> heterojunction architecture for incredibly stable and effective photovoltaic devices is demonstrated by these simulation models.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"200 ","pages":"Article 112598"},"PeriodicalIF":4.3,"publicationDate":"2025-01-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143387018","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 : 2025-01-25DOI: 10.1016/j.jpcs.2025.112583
Mary A. Mazannikova , Dmitry M. Korotin , Vladimir I. Anisimov , Dmitry Y. Novoselov
We study the electronic structure of the low-dimensional electride BaN to resolve discrepancies between density functional theory (DFT) predictions and experimental observations of pressure-induced phase transitions. According to the DFT calculations, there is no transition from the symmetry metallic phase to the phase, while in the experiment this transition is observed at 7 GPa. Using the density functional perturbation theory (DFPT) method, we have calculated the and parameters of the on-site and inter-site Coulomb interactions. Subsequently, applying the DFT+U+V method, we have found that taking into account the local and non-local interactions allows us to reproduce the metal-semimetal transition and to establish the energy balance that provides the structural transformation from to observed in the experiment. Therefore, the Coulomb interactions between the electrons, located predominantly in the interstitial voids, are important and lead to a qualitative change in the band structure and to the opening of an indirect gap in the subband corresponding to the electride states.
{"title":"Impact of Coulomb interactions on the phase transition and electronic structure of Ba2N electride under pressure: A DFT+U+V approach","authors":"Mary A. Mazannikova , Dmitry M. Korotin , Vladimir I. Anisimov , Dmitry Y. Novoselov","doi":"10.1016/j.jpcs.2025.112583","DOIUrl":"10.1016/j.jpcs.2025.112583","url":null,"abstract":"<div><div>We study the electronic structure of the low-dimensional electride Ba<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>N to resolve discrepancies between density functional theory (DFT) predictions and experimental observations of pressure-induced phase transitions. According to the DFT calculations, there is no transition from the <span><math><mrow><mi>P</mi><mover><mrow><mn>3</mn></mrow><mrow><mo>̄</mo></mrow></mover><mi>m</mi><mn>1</mn></mrow></math></span> symmetry metallic phase to the <span><math><mrow><mi>I</mi><mover><mrow><mn>4</mn></mrow><mrow><mo>̄</mo></mrow></mover><mn>2</mn><mi>d</mi></mrow></math></span> phase, while in the experiment this transition is observed at 7 GPa. Using the density functional perturbation theory (DFPT) method, we have calculated the <span><math><mi>U</mi></math></span> and <span><math><mi>V</mi></math></span> parameters of the on-site and inter-site Coulomb interactions. Subsequently, applying the DFT+U+V method, we have found that taking into account the local and non-local interactions allows us to reproduce the metal-semimetal transition and to establish the energy balance that provides the structural transformation from <span><math><mrow><mi>P</mi><mover><mrow><mn>3</mn></mrow><mrow><mo>̄</mo></mrow></mover><mi>m</mi><mn>1</mn></mrow></math></span> to <span><math><mrow><mi>I</mi><mover><mrow><mn>4</mn></mrow><mrow><mo>̄</mo></mrow></mover><mn>2</mn><mi>d</mi></mrow></math></span> observed in the experiment. Therefore, the Coulomb interactions between the electrons, located predominantly in the interstitial voids, are important and lead to a qualitative change in the band structure and to the opening of an indirect gap in the subband corresponding to the electride states.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"200 ","pages":"Article 112583"},"PeriodicalIF":4.3,"publicationDate":"2025-01-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143101681","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}
We investigate the ultrafast dynamics of TI (Bi2Se3, Bi2Te2Se, and TlBiSe2)/p-Si and TI/FM (Bi2Se3/Ni80Fe20/p-Si, Bi2Te2Se/Ni80Fe20/p-Si, and TlBiSe2/Ni80Fe20/p-Si) films using time-resolved pump-probe spectroscopy. The ultrafast study reveals that the insertion of Ni80Fe20 in between the TI and p-Si layer leads to decrease in the charge carrier's life time via acceleration in the decay of charge carriers. In addition to this, the study of Bi2Se3/Ni80Fe20/p-Si, Bi2Te2Se/Ni80Fe20/p-Si, and TlBiSe2/Ni80Fe20/p-Si films was also carried out under the absence and presence of an external magnetic field. Our study indicates significant broadening in ground state bleaching and excited state absorption on exposure to magnetic field, accompanied with a reduction in absorption intensity and a shift in spectral positions. It is also observed that, the carrier recombination rates are enhanced, and the carrier lifetime decreases in the presence of a magnetic field. These observations are attributed to Zeeman and Rashba spin-orbit effects, leading to electronic state splitting and an increase in the density of states. Our findings are corroborated with static magneto-optic Kerr effect (MOKE) measurements, indicating time-reversal symmetry breaking in topological insulators under the influence of magnetic field.
{"title":"Magnetic field-driven charge carrier dynamics and time-reversal symmetry breaking in individual TI/FM heterostructures (Bi2Se3/Ni80Fe20/p-Si, Bi2Te2Se/Ni80Fe20/p-Si, and TlBiSe2/Ni80Fe20/p-Si) via pump-probe spectroscopy","authors":"Roshani Singh , Rachana Kumar , Brahmaranjan Panigrahi , Arabinda Haldar , Pramod Kumar","doi":"10.1016/j.jpcs.2025.112594","DOIUrl":"10.1016/j.jpcs.2025.112594","url":null,"abstract":"<div><div>We investigate the ultrafast dynamics of TI (Bi<sub>2</sub>Se<sub>3,</sub> Bi<sub>2</sub>Te<sub>2</sub>Se, and TlBiSe<sub>2</sub>)/p-Si and TI/FM (Bi<sub>2</sub>Se<sub>3</sub>/Ni<sub>80</sub>Fe<sub>20</sub>/p-Si, Bi<sub>2</sub>Te<sub>2</sub>Se/Ni<sub>80</sub>Fe<sub>20</sub>/p-Si, and TlBiSe<sub>2</sub>/Ni<sub>80</sub>Fe<sub>20</sub>/p-Si<strong>)</strong> films using time-resolved pump-probe spectroscopy. The ultrafast study reveals that the insertion of Ni<sub>80</sub>Fe<sub>20</sub> in between the TI and p-Si layer leads to decrease in the charge carrier's life time via acceleration in the decay of charge carriers. In addition to this, the study of Bi<sub>2</sub>Se<sub>3</sub>/Ni<sub>80</sub>Fe<sub>20</sub>/p-Si, Bi<sub>2</sub>Te<sub>2</sub>Se/Ni<sub>80</sub>Fe<sub>20</sub>/p-Si, and TlBiSe<sub>2</sub>/Ni<sub>80</sub>Fe<sub>20</sub>/p-Si films was also carried out under the absence and presence of an external magnetic field. Our study indicates significant broadening in ground state bleaching and excited state absorption on exposure to magnetic field, accompanied with a reduction in absorption intensity and a shift in spectral positions. It is also observed that, the carrier recombination rates are enhanced, and the carrier lifetime decreases in the presence of a magnetic field. These observations are attributed to Zeeman and Rashba spin-orbit effects, leading to electronic state splitting and an increase in the density of states. Our findings are corroborated with static magneto-optic Kerr effect (MOKE) measurements, indicating time-reversal symmetry breaking in topological insulators under the influence of magnetic field.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"200 ","pages":"Article 112594"},"PeriodicalIF":4.3,"publicationDate":"2025-01-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143101682","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 eco-friendly smart guar gum xanthate-based hydrogel (GGmXHs hydrogel) has been synthesized using a free radical polymerization process via grafting of two monomers viz., acrylamide and acrylic acid on guar gum xanthate (GGmX) using KPS as an initiator and taking MBA as the crosslinker. Numerous analytical techniques viz., UV, FTIR, GPC, TGA, SEM, XRD, and EDAX analysis have been used to characterize the synthesized GGmXHs hydrogel. The synthesized GGmXHs hydrogel has been utilized to eliminate the Ni2+, Co2+ and Cu2+ ions from aqueous solutions. The optimal removal percentage has been found to be 91.4, 95.1 and 98.0 for Ni2+, Co2+ and Cu2+ ions respectively. In addition, the swelling of GGmXHs hydrogel was obtained to be 313.6, 436.1 and 483.4 g/g and % WRR has been found to be 67.64, 74.34 and 81.28 % in grey, tap and distilled water, at optimized conditions. The Langmuir isotherm has been studied as most fitted with adsorption capacity of 420.16, 448.43 & 471.69 mg/g for Ni2+, Co2+ and Cu2+ ions respectively. The kinetic studies for the adsorption mechanism suggest pseudo-first order kinetic model with rate constant of −3.9 × 10−2 min−1 for Ni2+, −4.8 × 10−2 min−1 for Co2+, and −6.7 × 10−2 min−1 for Cu2+ ions. The reusability of GGmXHs hydrogel has been studied fourth times and the desorption efficiency has been found to be 88.82, 91.38 and 95.01 % for Ni2+, Co2+ and Cu2+ ions respectively. Finally, GGmXHs hydrogel emerges as an economical adsorbent that is efficient to clean heavy metal ions (HMIs) from wastewater.
{"title":"Synthesis and characterization of chemically functionalized novel smart guar gum xanthate based hydrogel: Swelling, isotherm, kinetics, thermodynamic and reusability studies","authors":"Arbind Chaurasiya , Poorn Prakash Pande , Ravi Shankar , Prateek Khare , Praveen Kumar , Navneet Kumar Yadav , Kajal Kumar Dey","doi":"10.1016/j.jpcs.2025.112584","DOIUrl":"10.1016/j.jpcs.2025.112584","url":null,"abstract":"<div><div>The eco-friendly smart guar gum xanthate-based hydrogel (GGmXHs hydrogel) has been synthesized using a free radical polymerization process via grafting of two monomers <em>viz.,</em> acrylamide and acrylic acid on guar gum xanthate (GGmX) using KPS as an initiator and taking MBA as the crosslinker. Numerous analytical techniques <em>viz.,</em> UV, FTIR, GPC, TGA, SEM, XRD, and EDAX analysis have been used to characterize the synthesized GGmXHs hydrogel. The synthesized GGmXHs hydrogel has been utilized to eliminate the Ni<sup>2+</sup>, Co<sup>2+</sup> and Cu<sup>2+</sup> ions from aqueous solutions. The optimal removal percentage has been found to be 91.4, 95.1 and 98.0 for Ni<sup>2+</sup>, Co<sup>2+</sup> and Cu<sup>2+</sup> ions respectively. In addition, the swelling of GGmXHs hydrogel was obtained to be 313.6, 436.1 and 483.4 g/g and % WRR has been found to be 67.64, 74.34 and 81.28 % in grey, tap and distilled water, at optimized conditions. The Langmuir isotherm has been studied as most fitted with adsorption capacity of 420.16, 448.43 & 471.69 mg/g for Ni<sup>2+</sup>, Co<sup>2+</sup> and Cu<sup>2+</sup> ions respectively. The kinetic studies for the adsorption mechanism suggest pseudo-first order kinetic model with rate constant of −3.9 × 10<sup>−2</sup> min<sup>−1</sup> for Ni<sup>2+</sup>, −4.8 × 10<sup>−2</sup> min<sup>−1</sup> for Co<sup>2+</sup>, and −6.7 × 10<sup>−2</sup> min<sup>−1</sup> for Cu<sup>2+</sup> ions. The reusability of GGmXHs hydrogel has been studied fourth times and the desorption efficiency has been found to be 88.82, 91.38 and 95.01 % for Ni<sup>2+</sup>, Co<sup>2+</sup> and Cu<sup>2+</sup> ions respectively. Finally, GGmXHs hydrogel emerges as an economical adsorbent that is efficient to clean heavy metal ions (HMIs) from wastewater.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"200 ","pages":"Article 112584"},"PeriodicalIF":4.3,"publicationDate":"2025-01-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143102056","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 : 2025-01-25DOI: 10.1016/j.jpcs.2025.112597
U. León-Silva , L. Cajero-Sotelo , M.E. Nicho , E.E. Antúnez , J. Escobedo-Alatorre , J.A. Sandoval-Espino , J.A. Marbán-Salgado , M.R. Díaz-Guillén
Biopolymers (BPs) synthesized from corn and chicken waste were studied for the first time as separator in the manufacture of capacitors based on porous silicon (pSi) as metal plate for charge storage. BPs were synthesized using easy, cheap, and sustainable thermochemical processes. The BP films (separators) were characterized by FT-IR, contact angle, surface electrical resistivity and AFM. Devices with the following pSi/BP/pSi configuration were manufactured and characterized by electrochemical impedance spectroscopy (EIS) and cyclic voltammetry (CV) to determine their performance as capacitors and study the mechanisms that control the process at the pSi/BP interface. Likewise, the charge/discharge process of the devices was observed on an oscilloscope using a resistor-capacitor (RC) circuit. The results obtained show that the devices have the capacity to store energy in the form of an electric field with the contribution of an electrochemical double layer. Likewise, it was found that greater surface roughness and hydrophobicity in the biopolymeric separators allowed a greater energy storage capacity. The capacitance values of the charge/discharge test were in the order of 215, 296 pF, 45 and 47 nF. The synthesized biopolymers have enormous potential for use as separators in the fabrication of pSi-based capacitors.
{"title":"Biopolymeric separator for capacitors based on porous silicon","authors":"U. León-Silva , L. Cajero-Sotelo , M.E. Nicho , E.E. Antúnez , J. Escobedo-Alatorre , J.A. Sandoval-Espino , J.A. Marbán-Salgado , M.R. Díaz-Guillén","doi":"10.1016/j.jpcs.2025.112597","DOIUrl":"10.1016/j.jpcs.2025.112597","url":null,"abstract":"<div><div>Biopolymers (BPs) synthesized from corn and chicken waste were studied for the first time as separator in the manufacture of capacitors based on porous silicon (pSi) as metal plate for charge storage. BPs were synthesized using easy, cheap, and sustainable thermochemical processes. The BP films (separators) were characterized by FT-IR, contact angle, surface electrical resistivity and AFM. Devices with the following pSi/BP/pSi configuration were manufactured and characterized by electrochemical impedance spectroscopy (EIS) and cyclic voltammetry (CV) to determine their performance as capacitors and study the mechanisms that control the process at the pSi/BP interface. Likewise, the charge/discharge process of the devices was observed on an oscilloscope using a resistor-capacitor (RC) circuit. The results obtained show that the devices have the capacity to store energy in the form of an electric field with the contribution of an electrochemical double layer. Likewise, it was found that greater surface roughness and hydrophobicity in the biopolymeric separators allowed a greater energy storage capacity. The capacitance values of the charge/discharge test were in the order of 215, 296 pF, 45 and 47 nF. The synthesized biopolymers have enormous potential for use as separators in the fabrication of pSi-based capacitors.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"200 ","pages":"Article 112597"},"PeriodicalIF":4.3,"publicationDate":"2025-01-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143102063","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 : 2025-01-24DOI: 10.1016/j.jpcs.2025.112596
C. Quej , C. Cab , G. Canto , J. Medina , A. Tapia
For the first time, the effects of calcium (Ca) doping on the structural, electronic, and energetic properties of γ-boron nitride (γ-BNyne) are investigated and compared with those of the carbon nanostructure γ-graphyne (γ-GY). Density Functional Theory (DFT) and Grimme's correction (D3) were performed, showing that the optimal binding locations for Ca doping on both γ-GY and γ-BNyne nanostructures are similar. The Ca dopant effect in γ-GY (Ca/γ-GY) leads to the disappearance of the band gap, inducing a metallic character to the surface. For Ca doping on γ-BNyne (Ca/γ-BNyne), a subtle reduction in its band gap was found. The binding energies for Ca/γ-GY and Ca/γ-BNyne were calculated and analyzed with respect to the cohesive energy of calcium. Our research significantly enhances the comprehension of metal-doped two-dimensional nanomaterials, potentially impacting various fields such as electronics, catalysis, hydrogen storage and battery technology.
{"title":"Structural and electronic properties of Ca-doped γ-graphyne and γ-BNyne 2D surfaces","authors":"C. Quej , C. Cab , G. Canto , J. Medina , A. Tapia","doi":"10.1016/j.jpcs.2025.112596","DOIUrl":"10.1016/j.jpcs.2025.112596","url":null,"abstract":"<div><div>For the first time, the effects of calcium (Ca) doping on the structural, electronic, and energetic properties of <em>γ</em>-boron nitride (<em>γ</em>-BNyne) are investigated and compared with those of the carbon nanostructure <em>γ</em>-graphyne (<em>γ</em>-GY). Density Functional Theory (DFT) and Grimme's correction (D3) were performed, showing that the optimal binding locations for Ca doping on both <em>γ</em>-GY and <em>γ</em>-BNyne nanostructures are similar. The Ca dopant effect in γ-GY (Ca/γ-GY) leads to the disappearance of the band gap, inducing a metallic character to the surface. For Ca doping on <em>γ</em>-BNyne (Ca/γ-BNyne), a subtle reduction in its band gap was found. The binding energies for Ca/γ-GY and Ca/γ-BNyne were calculated and analyzed with respect to the cohesive energy of calcium. Our research significantly enhances the comprehension of metal-doped two-dimensional nanomaterials, potentially impacting various fields such as electronics, catalysis, hydrogen storage and battery technology.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"200 ","pages":"Article 112596"},"PeriodicalIF":4.3,"publicationDate":"2025-01-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143102064","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 : 2025-01-23DOI: 10.1016/j.jpcs.2025.112590
Wenjing Huang , Hong Zheng , Jing Xiang , Hao Xue , Peng Yuan , Taotao Yang , Ke Cheng , Lingxin Yang , Jiayi Wei
The investigation of green carbon precursors and cost-effective activators has become an important area for manufacturing electrode materials. Bamboo shoot shells are carbonized at high temperatures and then dual activated with KOH and K2CO3 to create bamboo shoot shell-based porous carbon materials (BSC-X). The obtained porous carbon materials are subjected to electrochemical tests, nitrogen adsorption and desorption (BET), scanning electron microscopy (SEM) and infrared and X-ray diffraction (XRD) analyses. The experimental results show that the BSC-1 porous carbon has a rich pore structure, high specific surface area (2583.75 m2 g−1), O content of up to 33.00 % and total pore volume of up to 1.47 cm3 g−1. In the three-electrode test system, the BSC-1 shows the specific capacitance of 459.50 F g−1 at 0.5 A g−1, a capacitance retention of 73.48 % at a current density of 10 A g−1, and a capacitance retention of 99.97 % and a Coulombic efficiency of 94.85 % after 10,000 cycles at a current density of 10 A g−1. The symmetric supercapacitor assembled with BSC-1//BSC-1 exhibits a voltage range of 0–2.0 V in 1 M Na2SO4 electrolyte, the specific capacitance of 313.00 F g−1 (at 0.5 A g−1), and a high energy density of up to 43.47 Wh kg−1. The capacitance retention of 94.34 % and the Coulombic efficiency is 94.72 % after 10,000 cycles at 10 A g−1 current density. The supercapacitors with PVA/KOH gel as electrolyte have a specific capacitance of 252.57 F g−1 and a high energy density of up to 17.19 Wh kg−1 at a voltage of 0–1.4 V and a current density of 0.5 A g−1. The capacitance retention of 85.45 % and Coulombic efficiency of 92.37 % after 10,000 cycles at 10 A g−1 current density. This study provides an affordable and renewable strategy for the synthesis of porous carbon materials for supercapacitors.
{"title":"Dual-activated shoot shells as three-dimensional mesh materials for all-solid-state supercapacitors","authors":"Wenjing Huang , Hong Zheng , Jing Xiang , Hao Xue , Peng Yuan , Taotao Yang , Ke Cheng , Lingxin Yang , Jiayi Wei","doi":"10.1016/j.jpcs.2025.112590","DOIUrl":"10.1016/j.jpcs.2025.112590","url":null,"abstract":"<div><div>The investigation of green carbon precursors and cost-effective activators has become an important area for manufacturing electrode materials. Bamboo shoot shells are carbonized at high temperatures and then dual activated with KOH and K<sub>2</sub>CO<sub>3</sub> to create bamboo shoot shell-based porous carbon materials (BSC-X). The obtained porous carbon materials are subjected to electrochemical tests, nitrogen adsorption and desorption (BET), scanning electron microscopy (SEM) and infrared and X-ray diffraction (XRD) analyses. The experimental results show that the BSC-1 porous carbon has a rich pore structure, high specific surface area (2583.75 m<sup>2</sup> g<sup>−1</sup>), O content of up to 33.00 % and total pore volume of up to 1.47 cm<sup>3</sup> g<sup>−1</sup>. In the three-electrode test system, the BSC-1 shows the specific capacitance of 459.50 F g<sup>−1</sup> at 0.5 A g<sup>−1</sup>, a capacitance retention of 73.48 % at a current density of 10 A g<sup>−1</sup>, and a capacitance retention of 99.97 % and a Coulombic efficiency of 94.85 % after 10,000 cycles at a current density of 10 A g<sup>−1</sup>. The symmetric supercapacitor assembled with BSC-1//BSC-1 exhibits a voltage range of 0–2.0 V in 1 M Na<sub>2</sub>SO<sub>4</sub> electrolyte, the specific capacitance of 313.00 F g<sup>−1</sup> (at 0.5 A g<sup>−1</sup>), and a high energy density of up to 43.47 Wh kg<sup>−1</sup>. The capacitance retention of 94.34 % and the Coulombic efficiency is 94.72 % after 10,000 cycles at 10 A g<sup>−1</sup> current density. The supercapacitors with PVA/KOH gel as electrolyte have a specific capacitance of 252.57 F g<sup>−1</sup> and a high energy density of up to 17.19 Wh kg<sup>−1</sup> at a voltage of 0–1.4 V and a current density of 0.5 A g<sup>−1</sup>. The capacitance retention of 85.45 % and Coulombic efficiency of 92.37 % after 10,000 cycles at 10 A g<sup>−1</sup> current density. This study provides an affordable and renewable strategy for the synthesis of porous carbon materials for supercapacitors.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"200 ","pages":"Article 112590"},"PeriodicalIF":4.3,"publicationDate":"2025-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143101678","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 : 2025-01-22DOI: 10.1016/j.jpcs.2025.112586
Kashmiri Deka , Gauri A. Deshpande , Shalaka A. Kamble , Vijaykumar B. Varma , R.V. Ramanujan , Priyanka Khot , Kisan M. Kodam , Som Datta Kaushik , P.D. Babu , Vikas L. Mathe
Spherical manganese ferrite (MnFe2O4) nanoparticles (MFNPs) were synthesized by thermal plasma route for the first time. To check the efficiency of the developed MFNPs as magnetic hyperthermia agents, induction heating study was performed under an AC magnetic field (4 kA/m amplitude and 375 kHz frequency). The results demonstrated temperature increase to 50 °C within 2 s for bare MFNPs and 5 s for water dispersion of MFNPs. The specific absorption rate (SAR) of the MFNPs was found to be 403.78 Wg−1 and 546.1 Wg−1 using linear data fitting and Box-Lucas fitting methods respectively. These results were superior to those in the preceding reports using MFNPs as magnetic hyperthermia agents. Cytotoxicity assay on B16–F1 epithelial cells and A549 adenocarcinomic human alveolar basal epithelial cells proved high cell-viability of the synthesized MFNPs. Hence, our research demonstrated a thermal plasma-based synthesis of reproducible, and biocompatible MFNPs with superior performance which will improve accuracy and reduce side effects during targeted cancer treatment.
{"title":"Enhanced magnetic hyperthermia performance in thermal plasma synthesized MnFe2O4 nanoparticles","authors":"Kashmiri Deka , Gauri A. Deshpande , Shalaka A. Kamble , Vijaykumar B. Varma , R.V. Ramanujan , Priyanka Khot , Kisan M. Kodam , Som Datta Kaushik , P.D. Babu , Vikas L. Mathe","doi":"10.1016/j.jpcs.2025.112586","DOIUrl":"10.1016/j.jpcs.2025.112586","url":null,"abstract":"<div><div>Spherical manganese ferrite (MnFe<sub>2</sub>O<sub>4</sub>) nanoparticles (MFNPs) were synthesized by thermal plasma route for the first time. To check the efficiency of the developed MFNPs as magnetic hyperthermia agents, induction heating study was performed under an AC magnetic field (4 kA/m amplitude and 375 kHz frequency). The results demonstrated temperature increase to 50 °C within 2 s for bare MFNPs and 5 s for water dispersion of MFNPs. The specific absorption rate (SAR) of the MFNPs was found to be 403.78 Wg<sup>−1</sup> and 546.1 Wg<sup>−1</sup> using linear data fitting and Box-Lucas fitting methods respectively. These results were superior to those in the preceding reports using MFNPs as magnetic hyperthermia agents. Cytotoxicity assay on B16–F1 epithelial cells and A549 adenocarcinomic human alveolar basal epithelial cells proved high cell-viability of the synthesized MFNPs. Hence, our research demonstrated a thermal plasma-based synthesis of reproducible, and biocompatible MFNPs with superior performance which will improve accuracy and reduce side effects during targeted cancer treatment.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"200 ","pages":"Article 112586"},"PeriodicalIF":4.3,"publicationDate":"2025-01-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143102058","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}
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