Pub Date : 2025-10-11DOI: 10.1016/j.ssc.2025.116195
G. Dziembaj, G. Przepiórka, T. Chwiej
This study investigates the spin characteristics of single-electron photon-dressed states in a two-dimensional semiconductor quantum dot (QD). Floquet theory is used to demonstrate strong susceptibility of electron spin to combined effect of Rashba spin–orbit interaction (SOI) and the circular polarization of light that results in high spin polarizability with direction defined solely by the light helicity. This spin-Zeeman like effect is characterized by the light-induced pseudomagnetic field depending on laser and SOI parameters. Calculations performed under typical experimental conditions for InGaAs QD as well as the energy and intensities of dressing photons, indicate that this effect would be experimentally observable.
{"title":"Light-induced spin polarization of low-energy electron states in semiconductor quantum dot with moderate Rashba spin–orbit coupling","authors":"G. Dziembaj, G. Przepiórka, T. Chwiej","doi":"10.1016/j.ssc.2025.116195","DOIUrl":"10.1016/j.ssc.2025.116195","url":null,"abstract":"<div><div>This study investigates the spin characteristics of single-electron photon-dressed states in a two-dimensional semiconductor quantum dot (QD). Floquet theory is used to demonstrate strong susceptibility of electron spin to combined effect of Rashba spin–orbit interaction (SOI) and the circular polarization of light that results in high spin polarizability with direction defined solely by the light helicity. This spin-Zeeman like effect is characterized by the light-induced pseudomagnetic field depending on laser and SOI parameters. Calculations performed under typical experimental conditions for In<span><math><msub><mrow></mrow><mrow><mn>0</mn><mo>.</mo><mn>53</mn></mrow></msub></math></span>Ga<span><math><msub><mrow></mrow><mrow><mn>0</mn><mo>.</mo><mn>47</mn></mrow></msub></math></span>As QD as well as the energy and intensities of dressing photons, indicate that this effect would be experimentally observable.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"406 ","pages":"Article 116195"},"PeriodicalIF":2.4,"publicationDate":"2025-10-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145334196","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-10-11DOI: 10.1016/j.ssc.2025.116196
Minseok Kim , Ryota Fujimoto , Hiroshi Yanagi
Amorphous semiconductors are characterized by the absence of long-range ordering and thereby lattice constants. Consequently, defects at the heterojunction interface caused by lattice mismatch are not a concern. In this study, amorphous Zn(ON) thin films with nitrogen contents of 4.4 %–6.0 % are fabricated via radio frequency magnetron sputtering. As the nitrogen content increases, the bandgap decreases from 1.8 to 1.5 eV. The amorphous Zn(ON) film shows the highest electron mobility and carrier concentration of 29.1 cm2 V−1 s−1 and 1.73 × 1020 cm−3, respectively, indicating high mobility. The formation of the valence band maximum of amorphous Zn(ON) is attributed to the nitrogen 2p level being shallower than the oxygen 2p level. This results in an upshift in the valence band maximum in amorphous Zn(ON). Both the conduction band minimum and the valence band maximum of the Zn(ON) films are upshifted compared with those of ZnO. The results suggest that the electronic properties (valence band maximum) of amorphous Zn(ON) films can be tuned using N-doping, making them suitable for use in devices such as n-type a-Zn(ON)/p-Cu2O heterojunction solar cells.
{"title":"Band alignment determined by XPS for amorphous Zn(ON) thin films prepared by RF magnetron sputtering","authors":"Minseok Kim , Ryota Fujimoto , Hiroshi Yanagi","doi":"10.1016/j.ssc.2025.116196","DOIUrl":"10.1016/j.ssc.2025.116196","url":null,"abstract":"<div><div>Amorphous semiconductors are characterized by the absence of long-range ordering and thereby lattice constants. Consequently, defects at the heterojunction interface caused by lattice mismatch are not a concern. In this study, amorphous Zn(ON) thin films with nitrogen contents of 4.4 %–6.0 % are fabricated via radio frequency magnetron sputtering. As the nitrogen content increases, the bandgap decreases from 1.8 to 1.5 eV. The amorphous Zn(ON) film shows the highest electron mobility and carrier concentration of 29.1 cm<sup>2</sup> V<sup>−1</sup> s<sup>−1</sup> and 1.73 × 10<sup>20</sup> cm<sup>−3</sup>, respectively, indicating high mobility. The formation of the valence band maximum of amorphous Zn(ON) is attributed to the nitrogen 2p level being shallower than the oxygen 2p level. This results in an upshift in the valence band maximum in amorphous Zn(ON). Both the conduction band minimum and the valence band maximum of the Zn(ON) films are upshifted compared with those of ZnO. The results suggest that the electronic properties (valence band maximum) of amorphous Zn(ON) films can be tuned using N-doping, making them suitable for use in devices such as n-type a-Zn(ON)/p-Cu<sub>2</sub>O heterojunction solar cells.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"406 ","pages":"Article 116196"},"PeriodicalIF":2.4,"publicationDate":"2025-10-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145334195","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-10-10DOI: 10.1016/j.ssc.2025.116185
Rawaa Abbas Abd Ali , Shymaa K. Hussian
Today, materials with the perovskite structure ABX3 have gained great attention due to their wide applications in energy storage and harvesting. In this work, CsPbBrxClᵧ nanoparticles were synthesized for potential use in LEDs and solar cells using two different methods. Various halide ratios (Cl: Br = 30:70, 50:50, and 80:20) were dissolved in different solvent mixtures of DMF: DMSO (4:1, 3:2, and 2:3 vol ratio), followed by spin-coating on glass substrates. Among them, the 3:2 solvent ratio showed the most favorable optical and structural properties. To reduce the toxicity of the structure, 5 %, 10 %, and 20 % of SnCl2 were replaced with PbCl2 and PbBr2; however, due to the high sensitivity of Sn2+ to oxygen and moisture, photoluminescence properties diminished after coating, which is a limitation for practical applications. To overcome this, a colloidal synthesis was also performed using the ligand-assisted reprecipitation (LARP) method with oleic acid and oleylamine as capping agents, resulting in enhanced environmental stability of the particles. CsPbBrxClᵧ compositions with the same halide ratios and 5 % SnCl2 were synthesized via LARP in DMF: DMSO (3:2). The results indicate successful reduction of toxicity while preserving the desired optical and structural characteristics. The samples were analyzed using photoluminescence (PL), UV–vis spectroscopy, FESEM, AFM, and XRD to evaluate their optical properties, surface morphology, and crystallinity.
{"title":"Bandgap engineering and toxicity Mitigation in CsPb(BrxCly) mixed-halide perovskite thin films and nanoparticles via Sn2+ substitution","authors":"Rawaa Abbas Abd Ali , Shymaa K. Hussian","doi":"10.1016/j.ssc.2025.116185","DOIUrl":"10.1016/j.ssc.2025.116185","url":null,"abstract":"<div><div>Today, materials with the perovskite structure ABX<sub>3</sub> have gained great attention due to their wide applications in energy storage and harvesting. In this work, CsPbBr<sub>x</sub>Clᵧ nanoparticles were synthesized for potential use in LEDs and solar cells using two different methods. Various halide ratios (Cl: Br = 30:70, 50:50, and 80:20) were dissolved in different solvent mixtures of DMF: DMSO (4:1, 3:2, and 2:3 vol ratio), followed by spin-coating on glass substrates. Among them, the 3:2 solvent ratio showed the most favorable optical and structural properties. To reduce the toxicity of the structure, 5 %, 10 %, and 20 % of SnCl<sub>2</sub> were replaced with PbCl<sub>2</sub> and PbBr<sub>2</sub>; however, due to the high sensitivity of Sn<sup>2+</sup> to oxygen and moisture, photoluminescence properties diminished after coating, which is a limitation for practical applications. To overcome this, a colloidal synthesis was also performed using the ligand-assisted reprecipitation (LARP) method with oleic acid and oleylamine as capping agents, resulting in enhanced environmental stability of the particles. CsPbBr<sub>x</sub>Clᵧ compositions with the same halide ratios and 5 % SnCl<sub>2</sub> were synthesized via LARP in DMF: DMSO (3:2). The results indicate successful reduction of toxicity while preserving the desired optical and structural characteristics. The samples were analyzed using photoluminescence (PL), UV–vis spectroscopy, FESEM, AFM, and XRD to evaluate their optical properties, surface morphology, and crystallinity.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"406 ","pages":"Article 116185"},"PeriodicalIF":2.4,"publicationDate":"2025-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145334193","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-10-10DOI: 10.1016/j.ssc.2025.116192
Nisha Joseph , Remya Ampadi Ramachandran , Alphonsa Paul , Saji Augustine , Tina Sebastian
This study explores the fabrication and photocatalytic performance of a p-CuI/n-ZnO heterojunction, prepared using a solution-processed nebulized spray method. Comprehensive electrical, optical, morphological and structural characterizations were conducted to evaluate the properties of the heterojunction. The current-voltage analysis showed rectifying behavior, of p-CuI/n-ZnO heterojunction. Photoluminescence spectrum cofirmed the reduced recombination in CuI/ZnO heterojunction compared to pristine CuI and ZnO thin films. Photodegradation studies using Methylene Blue dye demonstrated a 90 % efficiency when using CuI/ZnO junction compared to 76 and 75 % of individual CuI and ZnO thin films, highlighting its potential for water treatment applications. Mott-Schottky electrochemical impedance analysis confirmed the formation of p-CuI/n-ZnO heterojunction. The heterojunction's superior performance was attributed to effective charge carrier separation facilitated by the built-in electric field at the interface. COMSOL Multiphysics simulations were employed to visualize the spatial distribution of dye degradation within the microreactor, providing insights into the photocatalytic reaction process. Active species analysis confirmed that hydroxyl radicals (.OH) played a dominant role in the degradation process, with the addition of H2O2 further enhancing the photocatalytic efficiency. The study underscores the environmental and energy-efficient advantages of CuI/ZnO heterojunctions, presenting them as promising candidates for advanced photocatalytic applications.
{"title":"p-CuI/n-ZnO heterojunction for enhanced dye degradation in water treatment","authors":"Nisha Joseph , Remya Ampadi Ramachandran , Alphonsa Paul , Saji Augustine , Tina Sebastian","doi":"10.1016/j.ssc.2025.116192","DOIUrl":"10.1016/j.ssc.2025.116192","url":null,"abstract":"<div><div>This study explores the fabrication and photocatalytic performance of a p-CuI/n-ZnO heterojunction, prepared using a solution-processed nebulized spray method. Comprehensive electrical, optical, morphological and structural characterizations were conducted to evaluate the properties of the heterojunction. The current-voltage analysis showed rectifying behavior, of p-CuI/n-ZnO heterojunction. Photoluminescence spectrum cofirmed the reduced recombination in CuI/ZnO heterojunction compared to pristine CuI and ZnO thin films. Photodegradation studies using Methylene Blue dye demonstrated a 90 % efficiency when using CuI/ZnO junction compared to 76 and 75 % of individual CuI and ZnO thin films, highlighting its potential for water treatment applications. Mott-Schottky electrochemical impedance analysis confirmed the formation of p-CuI/n-ZnO heterojunction. The heterojunction's superior performance was attributed to effective charge carrier separation facilitated by the built-in electric field at the interface. COMSOL Multiphysics simulations were employed to visualize the spatial distribution of dye degradation within the microreactor, providing insights into the photocatalytic reaction process. Active species analysis confirmed that hydroxyl radicals (.OH) played a dominant role in the degradation process, with the addition of H<sub>2</sub>O<sub>2</sub> further enhancing the photocatalytic efficiency. The study underscores the environmental and energy-efficient advantages of CuI/ZnO heterojunctions, presenting them as promising candidates for advanced photocatalytic applications.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"406 ","pages":"Article 116192"},"PeriodicalIF":2.4,"publicationDate":"2025-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145359491","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-10-09DOI: 10.1016/j.ssc.2025.116189
Sahar Mahnaee, María J. López, Estefania Germán, Julio A. Alonso
Boron-graphdiyne (BGDY) is a planar honeycomb structure in which boron (B) atoms placed at the corners of the hexagons are linked by butadiyne carbon chains. BGDY bilayers with different stacking have been investigated, and the most stable stacking corresponds to a structure in which one of the layers is a bit displaced along a B-B direction with respect to the other. The adhesion energies for the different stackings are rather close, suggesting that all these stackings can be experimentally accessible. The adhesion energy and the equilibrium distance between the two layers result from the balance between weakly attractive dispersion interactions and repulsive Pauli forces which arise when the atoms of the two layers come too close. The calculated electronic band structures reveal the bilayer BGDY is a semiconductor, and that some bands, those with substantial dispersion, split in two due to the layer-layer interaction. The calculated shear stress is anisotropic, and falls in the range of tens of MPa. The different stacking provides a promising way to tailor the size of the BGDY nanopores in applications of these materials as membranes for gas filtration and separation of gas mixtures.
{"title":"Structure and electronic properties of bilayers of boron-graphdiyne","authors":"Sahar Mahnaee, María J. López, Estefania Germán, Julio A. Alonso","doi":"10.1016/j.ssc.2025.116189","DOIUrl":"10.1016/j.ssc.2025.116189","url":null,"abstract":"<div><div>Boron-graphdiyne (BGDY) is a planar honeycomb structure in which boron (B) atoms placed at the corners of the hexagons are linked by butadiyne carbon chains. BGDY bilayers with different stacking have been investigated, and the most stable stacking corresponds to a structure in which one of the layers is a bit displaced along a B-B direction with respect to the other. The adhesion energies for the different stackings are rather close, suggesting that all these stackings can be experimentally accessible. The adhesion energy and the equilibrium distance between the two layers result from the balance between weakly attractive dispersion interactions and repulsive Pauli forces which arise when the atoms of the two layers come too close. The calculated electronic band structures reveal the bilayer BGDY is a semiconductor, and that some bands, those with substantial dispersion, split in two due to the layer-layer interaction. The calculated shear stress is anisotropic, and falls in the range of tens of MPa. The different stacking provides a promising way to tailor the size of the BGDY nanopores in applications of these materials as membranes for gas filtration and separation of gas mixtures.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"406 ","pages":"Article 116189"},"PeriodicalIF":2.4,"publicationDate":"2025-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145334200","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Herein, the influence of synthesis conditions on the specific surface area (SSA) of reduced graphene oxide (rGO) has been investigated along with pore size distribution(PSD). A series of graphene oxide (GO) samples has been prepared under different conditions and subsequently reduced by L-ascorbic acid. BET (Brunauer-Emmett-Teller) analysis showed surface area varying from 195 to 433 m2g-1 depending on synthesis parameters. For comparison, rGO has also been prepared by adopting the conventional Hummer's method using graphite flakes and exfoliated graphite as the precursors. It has been found that exfoliating graphite at first stage plays a key role in enhancing surface area in rGO. The pore size distribution of rGO has been assessed by implementing quenched solid density functional theory (QSDFT), which showed the presence of micropores with pore width of 0.78–0.92 nm (mode) and mesopores width ranging from 3 to 25 nm. The study demonstrates that reaction conditions adopted during GO synthesis significantly affect the surface area in rGO obtained after reduction. It paves the way towards synthesizing high surface area rGO by minimizing usage of oxidants and ultrasonication, along with pore size estimation using QSDFT.
{"title":"Influence of synthesis parameters on surface area and pore structure of reduced graphene oxide(rGO): Insight via QSDFT analysis","authors":"Pooja Sharma , Anurag Choudhary , Vikash Chandra Janu , Aruna Yadav , Deepesh Patidar , Prashant Vasistha","doi":"10.1016/j.ssc.2025.116186","DOIUrl":"10.1016/j.ssc.2025.116186","url":null,"abstract":"<div><div>Herein, the influence of synthesis conditions on the specific surface area (SSA) of reduced graphene oxide (rGO) has been investigated along with pore size distribution(PSD). A series of graphene oxide (GO) samples has been prepared under different conditions and subsequently reduced by L-ascorbic acid. BET (Brunauer-Emmett-Teller) analysis showed surface area varying from 195 to 433 m<sup>2</sup>g<sup>-1</sup> depending on synthesis parameters. For comparison, rGO has also been prepared by adopting the conventional Hummer's method using graphite flakes and exfoliated graphite as the precursors. It has been found that exfoliating graphite at first stage plays a key role in enhancing surface area in rGO. The pore size distribution of rGO has been assessed by implementing quenched solid density functional theory (QSDFT), which showed the presence of micropores with pore width of 0.78–0.92 nm (mode) and mesopores width ranging from 3 to 25 nm. The study demonstrates that reaction conditions adopted during GO synthesis significantly affect the surface area in rGO obtained after reduction. It paves the way towards synthesizing high surface area rGO by minimizing usage of oxidants and ultrasonication, along with pore size estimation using QSDFT.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"406 ","pages":"Article 116186"},"PeriodicalIF":2.4,"publicationDate":"2025-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145264563","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-10-09DOI: 10.1016/j.ssc.2025.116184
Qingsheng Wen , Peng Zhang , Yue-Yue Tian , Musen Li , Shunbo Hu , Yin Wang
The cubic crystal CsPbI3 has a strong spin-orbit coupling effect, and is prone to structural distortion under ambient conditions, making it very suitable for the study of the intrinsic spin Hall conductivity (ISHC). In this research, we first analyze the influence of structure distortion caused by the displacement of the Pb atom on its electronic properties, ferroelectric polarization, and the Rashba effect. And then we investigate how different types of symmetry breaking affect its ISHC. The research reveals that displacing Pb atoms can change the length of the Pb-I bond, leading to an increase in bandgap. Moreover, it also breaks the symmetry of the crystal, leading to variable ferroelectric polarizations (Ptot = −14.30 μC/cm2) and modifications of the Rashba effect ( = 1.61 eV Å). In the study of ISHC, it is found that the displacement of the Pb atom along the [111] direction can significantly reduce the ISHC by about 97 %. These results not only allow us to establish a fundamental understanding of the ISHC in cubic CsPbI3 dependent on the Pb atom displacement but also offer some insights for designing spintronic devices leveraging CsPbI3.
立方晶体CsPbI3具有较强的自旋-轨道耦合效应，在环境条件下容易发生结构畸变，非常适合于研究本禀自旋霍尔电导率（ISHC）。在本研究中，我们首先分析了Pb原子位移引起的结构畸变对其电子性能、铁电极化和Rashba效应的影响。然后我们研究了不同类型的对称性破缺如何影响它的ISHC。研究表明，置换Pb原子可以改变Pb- i键的长度，导致带隙增大。此外，它还破坏了晶体的对称性，导致铁电极化变化（Ptot =−14.30 μC/cm2）和Rashba效应的改变（αRαR = 1.61 eV Å）。在对ISHC的研究中，发现Pb原子沿[111]方向的位移可以显著降低ISHC约97%。这些结果不仅使我们对立方CsPbI3中依赖于Pb原子位移的ISHC有了基本的了解，而且为利用CsPbI3设计自旋电子器件提供了一些见解。
{"title":"Effect of Pb displacement on CsPbI3 spin Hall conductivity","authors":"Qingsheng Wen , Peng Zhang , Yue-Yue Tian , Musen Li , Shunbo Hu , Yin Wang","doi":"10.1016/j.ssc.2025.116184","DOIUrl":"10.1016/j.ssc.2025.116184","url":null,"abstract":"<div><div>The cubic crystal CsPbI<sub>3</sub> has a strong spin-orbit coupling effect, and is prone to structural distortion under ambient conditions, making it very suitable for the study of the intrinsic spin Hall conductivity (ISHC). In this research, we first analyze the influence of structure distortion caused by the displacement of the Pb atom on its electronic properties, ferroelectric polarization, and the Rashba effect. And then we investigate how different types of symmetry breaking affect its ISHC. The research reveals that displacing Pb atoms can change the length of the Pb-I bond, leading to an increase in bandgap. Moreover, it also breaks the symmetry of the crystal, leading to variable ferroelectric polarizations (<em>P</em><sub>tot</sub> = −14.30 μC/cm<sup>2</sup>) and modifications of the Rashba effect (<span><math><mrow><msub><mi>α</mi><mi>R</mi></msub><msub><mi>α</mi><mi>R</mi></msub></mrow></math></span> = 1.61 eV Å). In the study of ISHC, it is found that the displacement of the Pb atom along the [111] direction can significantly reduce the ISHC by about 97 %. These results not only allow us to establish a fundamental understanding of the ISHC in cubic CsPbI<sub>3</sub> dependent on the Pb atom displacement but also offer some insights for designing spintronic devices leveraging CsPbI<sub>3</sub>.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"406 ","pages":"Article 116184"},"PeriodicalIF":2.4,"publicationDate":"2025-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145474180","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-10-08DOI: 10.1016/j.ssc.2025.116191
S. Gálvez-Barbosa , Luis A. Bretado , Y. Salinas-Delgado , Luis A. González
In this work, ZnO particles with a unique dumbbell-shaped morphology with flower-like tips (DF-ZnO) were synthesized via the hydrothermal method. These particles measured 13.83 ± 2.35 μm in length and had tip diameters of 2.98 ± 0.89 μm. The DF-ZnO powders exhibited a hexagonal crystalline structure, as confirmed by XRD and Raman spectroscopy analyses. In addition to good stability and reusability, the DF-ZnO powders exhibited 88 % efficiency in the photocatalytic degradation of Eriochrome Black T (EBT) after 120 min of exposure to natural sunlight. Moreover, these particles exhibited antibacterial properties, with inhibition zones of 20 and 10 mm against Staphylococcus aureus and Escherichia coli, respectively.
在这项工作中，采用水热法合成了具有独特哑铃形状和花状尖端的ZnO颗粒（DF-ZnO）。这些颗粒的长度为13.83±2.35 μm，尖端直径为2.98±0.89 μm。XRD和拉曼光谱分析证实了DF-ZnO粉末具有六方晶体结构。除了具有良好的稳定性和可重复使用性外，DF-ZnO粉末在自然光照射120 min后光催化降解Eriochrome Black T （EBT）的效率为88%。此外，这些颗粒具有抗菌性能，对金黄色葡萄球菌和大肠杆菌的抑制区分别为20和10 mm。
{"title":"Photocatalytic performance and antibacterial activity of dumbbell-shaped ZnO with flower-like tips synthesized via the hydrothermal method","authors":"S. Gálvez-Barbosa , Luis A. Bretado , Y. Salinas-Delgado , Luis A. González","doi":"10.1016/j.ssc.2025.116191","DOIUrl":"10.1016/j.ssc.2025.116191","url":null,"abstract":"<div><div>In this work, ZnO particles with a unique dumbbell-shaped morphology with flower-like tips (DF-ZnO) were synthesized via the hydrothermal method. These particles measured 13.83 ± 2.35 μm in length and had tip diameters of 2.98 ± 0.89 μm. The DF-ZnO powders exhibited a hexagonal crystalline structure, as confirmed by XRD and Raman spectroscopy analyses. In addition to good stability and reusability, the DF-ZnO powders exhibited 88 % efficiency in the photocatalytic degradation of Eriochrome Black T (EBT) after 120 min of exposure to natural sunlight. Moreover, these particles exhibited antibacterial properties, with inhibition zones of 20 and 10 mm against <em>Staphylococcus aureus</em> and <em>Escherichia coli</em>, respectively.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"406 ","pages":"Article 116191"},"PeriodicalIF":2.4,"publicationDate":"2025-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145264556","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-10-08DOI: 10.1016/j.ssc.2025.116180
Farshad Azizi
We develop a unified theoretical framework to investigate strain-tunable superconductivity in 2D materials, extending the Bardeen–Cooper–Schrieffer (BCS) formalism with strain-dependent pairing interactions, density of states (DOS), and spin–orbit coupling (SOC). Tailored to hexagonal lattices like graphene and transition metal dichalcogenides (TMDs), our model integrates tensor strain effects, band flattening, and SOC to derive analytical expressions for the superconducting gap () and critical temperature (). Unlike previous models, it captures the interplay of anisotropy and lattice-specific effects, predicting a non-monotonic enhancement of superconductivity up to 5% strain, with peak and for MoS, consistent with experimental data. Supported by DFT and self-consistent simulations, our framework guides strain-engineered quantum devices.
{"title":"Strain-tunable superconductivity in 2D materials","authors":"Farshad Azizi","doi":"10.1016/j.ssc.2025.116180","DOIUrl":"10.1016/j.ssc.2025.116180","url":null,"abstract":"<div><div>We develop a unified theoretical framework to investigate strain-tunable superconductivity in 2D materials, extending the Bardeen–Cooper–Schrieffer (BCS) formalism with strain-dependent pairing interactions, density of states (DOS), and spin–orbit coupling (SOC). Tailored to hexagonal lattices like graphene and transition metal dichalcogenides (TMDs), our model integrates tensor strain effects, band flattening, and SOC to derive analytical expressions for the superconducting gap (<span><math><mrow><mi>Δ</mi><mrow><mo>(</mo><mi>ϵ</mi><mo>)</mo></mrow></mrow></math></span>) and critical temperature (<span><math><mrow><msub><mrow><mi>T</mi></mrow><mrow><mi>c</mi></mrow></msub><mrow><mo>(</mo><mi>ϵ</mi><mo>)</mo></mrow></mrow></math></span>). Unlike previous models, it captures the interplay of anisotropy and lattice-specific effects, predicting a non-monotonic enhancement of superconductivity up to 5% strain, with peak <span><math><mrow><mi>Δ</mi><mo>≈</mo><mn>1</mn><mo>.</mo><mn>197</mn><mspace></mspace><mtext>meV</mtext></mrow></math></span> and <span><math><mrow><msub><mrow><mi>T</mi></mrow><mrow><mi>c</mi></mrow></msub><mo>≈</mo><mn>3</mn><mo>.</mo><mn>16</mn><mspace></mspace><mtext>K</mtext></mrow></math></span> for MoS<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>, consistent with experimental data. Supported by DFT and self-consistent simulations, our framework guides strain-engineered quantum devices.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"406 ","pages":"Article 116180"},"PeriodicalIF":2.4,"publicationDate":"2025-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145264649","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-10-08DOI: 10.1016/j.ssc.2025.116188
Yingjie Lv , Kangkai Yan , Nannan Han , Jiahao Yang , Yu Chen , Ying Liang , Tianxing Ma , Jiajun Linghu , Zhi-peng Li
Proton-conducting solid oxide fuel cells (P-SOFC) represent one of the most promising energy conversion technologies due to their lower operating temperatures and reduced costs. However, existing electrolytes struggle to achieve high conductivity. To address this limitation, a novel hydrogen incorporation strategy leveraging the multivalent characteristics of transition metals has recently been reported. As one of the candidate perovskites with transition metal on the B site, CaFeO3 shows potential for the electrolyte of P-SOFC. Herein, we systematically investigate the properties of CaFeO3 by first-principles calculation and find that it possesses ferromagnetic ground state, energetic and chemical stability, as well as high-concentration hydrogen incorporation due to the charge transfer from H to Fe. The phase HCaFeO3 is thermodynamically stable with semiconductor nature which can suppress electronic conductivity. Seven possible proton migration pathways involving proton transfer and rotation are subsequently identified and rigorously compared, enabling the design of a viable long-range proton migration trajectory with maximum energy barrier of 0.35 eV. This maximum barrier belongs to the proton rotation process, contradicting the conventional understanding that proton transfer is the rate-limiting step. Meanwhile, the magnitude of lattice distortion is identified as the primary factor governing proton migration energy barriers. Our findings not only demonstrate the significant potential of CaFeO3 as a high-performance P-SOFC electrolyte, but also provide critical design principles for next-generation electrolyte materials for P-SOFC applications.
{"title":"Energetics and pathways of proton transport in CaFeO3: A first-principles study","authors":"Yingjie Lv , Kangkai Yan , Nannan Han , Jiahao Yang , Yu Chen , Ying Liang , Tianxing Ma , Jiajun Linghu , Zhi-peng Li","doi":"10.1016/j.ssc.2025.116188","DOIUrl":"10.1016/j.ssc.2025.116188","url":null,"abstract":"<div><div>Proton-conducting solid oxide fuel cells (P-SOFC) represent one of the most promising energy conversion technologies due to their lower operating temperatures and reduced costs. However, existing electrolytes struggle to achieve high conductivity. To address this limitation, a novel hydrogen incorporation strategy leveraging the multivalent characteristics of transition metals has recently been reported. As one of the candidate perovskites with transition metal on the B site, CaFeO<sub>3</sub> shows potential for the electrolyte of P-SOFC. Herein, we systematically investigate the properties of CaFeO<sub>3</sub> by first-principles calculation and find that it possesses ferromagnetic ground state, energetic and chemical stability, as well as high-concentration hydrogen incorporation due to the charge transfer from H to Fe. The phase HCaFeO<sub>3</sub> is thermodynamically stable with semiconductor nature which can suppress electronic conductivity. Seven possible proton migration pathways involving proton transfer and rotation are subsequently identified and rigorously compared, enabling the design of a viable long-range proton migration trajectory with maximum energy barrier of 0.35 eV. This maximum barrier belongs to the proton rotation process, contradicting the conventional understanding that proton transfer is the rate-limiting step. Meanwhile, the magnitude of lattice distortion is identified as the primary factor governing proton migration energy barriers. Our findings not only demonstrate the significant potential of CaFeO<sub>3</sub> as a high-performance P-SOFC electrolyte, but also provide critical design principles for next-generation electrolyte materials for P-SOFC applications.</div></div>","PeriodicalId":430,"journal":{"name":"Solid State Communications","volume":"406 ","pages":"Article 116188"},"PeriodicalIF":2.4,"publicationDate":"2025-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145264648","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
扫码关注我们
求助内容：
应助结果提醒方式：
京公网安备 11010802042870号