Physica B-condensed Matter最新文献

{"title":"Thermal-electric energy conversion of ferroelectrics modulated by electric field","authors":"Wanqiang Cao ,&nbsp;Ruikun Pan","doi":"10.1016/j.physb.2025.417104","DOIUrl":"10.1016/j.physb.2025.417104","url":null,"abstract":"<div><div>The process of thermal-electric energy conversion by performing an Olsen cycle on ferroelectrics is derived in theory, according to the derivation of polarization hysteresis loop due to rotation of dipoles. Evolutions of polarization and output energy density during the cycle process are simulated. The results show that converted energy density per cycle and power density increase and flatten out with increasing the high-electric field. And the power increment, which is defined as the difference of power density between two low-electric fields, increases with the decrease of the high-electric field. Considering flattening effect of power density and consuming energy of the fields, the applied electric fields can be modulated to optimal values. These results may be useful for selecting suitable ferroelectric materials and optimal conditions for the pyroelectric energy conversion (PEC) application.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"705 ","pages":"Article 417104"},"PeriodicalIF":2.8,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143549591","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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}

{"title":"First-Principles study on CO, CO2 and CH4 capture on Mg-MOF-74","authors":"Dipak Adhikari ,&nbsp;Ravi Karki ,&nbsp;Kapil Adhikari ,&nbsp;Nurapati Pantha","doi":"10.1016/j.physb.2025.417071","DOIUrl":"10.1016/j.physb.2025.417071","url":null,"abstract":"<div><div>In this work, the loading capacity of Mg-MOF-74 is evaluated for carbon-containing gases specifically for carbon monoxide (CO), carbon dioxide (CO₂), and methane (CH₄) using the density functional theory as implemented in the Gaussian-09 and Quantum ESPRESSO suites of the programs. The results show that the loading capacity of Mg-MOF-74 for CO is 14.6 mmol/g and that for CO₂, and CH₄ molecules is, 10.9 mmol/g. The gas-to-MOF ratios for CO, CO₂, and CH₄ molecules in the loaded MOFs are found to be 0.41, 0.48, and 0.18, respectively, suggesting that 1 g of Mg-MOF-74 may absorb 0.41 g of CO, 0.48 g of CO₂, and 0.18 g of CH₄ gas. Therefore, this study revealed that Mg-MOF-74 has outstanding adsorption capacity for carbon-containing gases and could be one of the promising materials for mitigating global warming and environmental pollution. Moreover, the findings revealed that the MOF's reactivity decreases and becomes increasingly stable as the number of loaded molecules increases, indicating that the saturated MOF is more stable than the unsaturated MOF.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"705 ","pages":"Article 417071"},"PeriodicalIF":2.8,"publicationDate":"2025-02-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143549588","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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}

{"title":"Comprehensive analysis of structural, optical, and photocatalytic properties of single-phase calcium vanadates: Insights into CaV2O6 and Ca2V2O7","authors":"N. Abhiram ,&nbsp;Bagavathy Shunmughananthan ,&nbsp;Ajay Kesavan ,&nbsp;Mohammed Mujahid Alam ,&nbsp;Abdullah G. Al-Sehemi ,&nbsp;Thangaraju Dheivasigamani","doi":"10.1016/j.physb.2025.417095","DOIUrl":"10.1016/j.physb.2025.417095","url":null,"abstract":"<div><div>The primary issue related to industrialization is that environmental pollution contributes to human health hazards. One significant cause of environmental contamination is the usage of various dyes in industries. In this context, photocatalysis plays a significant role due to its inherent nature. The cost-effective gel matrix method synthesized two distinct phases of calcium vanadate. The prepared vanadates' phase formation, crystallinity, optical properties and elemental composition were investigated using X-ray Diffraction (XRD), Raman spectroscopy, UV–visible spectroscopy and X-ray Photoelectron Spectroscopy (XPS). The band gap calculation was done from the Tauc plot using the UV absorbance studies. The morphology of the synthesized vanadates was examined using Scanning Electron Microscopy (SEM). Employing methylene blue (MB) as a model dye, the dye degradation illustrated the photocatalytic activity of synthesized semiconductor photocatalyst by irradiating visible light. The degradation efficiency of Ca₂V₂O₇ is 97 % within 4 h, which can be used for removing the dyes from the waste waters.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"705 ","pages":"Article 417095"},"PeriodicalIF":2.8,"publicationDate":"2025-02-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143549592","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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}

{"title":"Tunneling of Dirac fermions in graphene nanostructure modulated by time dependent rectangular wave potential","authors":"R. Biswas ,&nbsp;S. Mukhopadhyay ,&nbsp;C. Sinha","doi":"10.1016/j.physb.2025.417091","DOIUrl":"10.1016/j.physb.2025.417091","url":null,"abstract":"<div><div>We investigated theoretically the transmission properties of Dirac Fermions tunneling through a periodically (sinusoidal and rectangular) driven electrostatic barrier in Monolayer graphene. For the time harmonic potential with moderate to high <span><math><mrow><mi>α</mi><mspace></mspace><mrow><mo>(</mo><mrow><mo>=</mo><msub><mi>V</mi><mn>0</mn></msub><mo>/</mo><mi>ℏ</mi><mi>ω</mi></mrow><mo>)</mo></mrow></mrow></math></span> the central Floquet band is found to be almost cloaked for the Klein transmitted electron in contrast to electron at higher grazing incidences. As a time periodic drive, we mainly focused on the use of rectangular wave electric signal to modulate the transparency of the barrier. It is noted that the asymmetric Fano resonance, a characteristic feature of photon assisted tunneling, is more likely to occur for rectangular drive in contrast to the harmonic one. The height of the modulating potential is particularly responsible for the dressing effect of the barrier. The position and nature of the FR can be tailored by changing the height and frequency of the rectangular drive. Moreover, the duty cycle of the driving potential turns out to be an important controlling parameter for the transmission process. Thus, the rectangular modulation plays an important role for the occurrence and detection of the Fano resonances which is vital for the use of graphene nanostructure in the field of detectors, sensors, modulators etc. The present work attempts for the first time, to realize the effect of duty cycle on the quantum interference in semiconductor nanostructures.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"705 ","pages":"Article 417091"},"PeriodicalIF":2.8,"publicationDate":"2025-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143529308","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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}

{"title":"Electronic environments, optical and electrochemical properties of FeAlOx/reduced graphene oxide nanocomposites","authors":"Sumitra Dutta ,&nbsp;Aishwarya Madhuri ,&nbsp;Sanketa Jena ,&nbsp;Soumyadeep Laha ,&nbsp;Bibhu P. Swain","doi":"10.1016/j.physb.2025.417078","DOIUrl":"10.1016/j.physb.2025.417078","url":null,"abstract":"<div><div>Iron oxide-aluminium oxide/reduced graphene oxide (FeO_x-AlO_x/rGO) nanocomposites (NCs) were synthesized using a chemically reduced process. The grain and crystallite sizes varied from 65 to 195 nm and 2.48–17.44 nm, respectively, with an increase in Al wt%. The rGO sheets showed hexagonal symmetry, as confirmed by the SAED pattern of the rGO sheets appearing with three concentric circles. UV–Vis spectra revealed that optical absorption was a red shift from 367.09 to 273.76 nm with increased AlO_x concentration. The sp³ to sp² carbon ratio, I_D/I_G, increases from 1.16 to 1.36 from 0 to 50 wt% AlO_x decreased to 1.19 for the further increment of AlO_x. The degree of passivation, I_D1/I_G and degree of stacking fault, I_D3/I_G, decreased from 0.55 to 0.23 and 0.24 to 0.08 for FeO_x/rGO and (FeO_x)_0.25-(AlO_x)_0.75/rGO respectively, further increased to 0.33 and 0.32 for AlO_x/rGO NC, respectively. The degree of dislocation, I_D2/I_G, decreased from 0.55 to 0.07, reducing the defects in the graphene structure by increasing AlOx wt.% of (FeO_x)_0.5-(AlO_x)_0.5/rGO NC. The highest specific capacitance, C_sp is observed at 434 and 292.95 F g⁻¹ for (FeO_x)_0.75-(AlO_x)_0.25/rGO NC by cyclic voltammetry and galvanostatic charge-discharge measurements, respectively. Maximum C_dl and minimum R_ct of 3.04 × 10⁻⁹ Fg⁻¹ and 120.93 Ω were observed for 75 wt% of AlO_x content. The protective layer of FeO_x prevents corrosion by acting as an inhibitor in the 1 M H₂SO₄ electrolytic solution. Moreover, the semi-empirical electronic environment of elements was explained using core orbital spectra.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"705 ","pages":"Article 417078"},"PeriodicalIF":2.8,"publicationDate":"2025-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143526890","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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}

{"title":"Properties of phosphorous-doped large-grained microcrystalline silicon thin film and the application on HIT solar cell","authors":"Ziqiang Shuai ,&nbsp;Qiubo Hu ,&nbsp;Tongxin Zhao ,&nbsp;Bingbing Zheng ,&nbsp;Jianuo Song ,&nbsp;Yuchu Jiang ,&nbsp;Guanbo Zhao ,&nbsp;Guangcai Sun ,&nbsp;Jia Liu ,&nbsp;Xuetong Guo","doi":"10.1016/j.physb.2025.417094","DOIUrl":"10.1016/j.physb.2025.417094","url":null,"abstract":"<div><div>Microcrystalline silicon (μc-Si) thin films are prepared through plasma enhanced chemical vapor deposition (PECVD) route under the assist of negative bias. A substrate temperature as low as 150 °C is applied during deposition. Various characterizations have been carried out for investigating the structural, electrical and optical properties of the as-deposited thin films. At H₂ flow = 600 sccm, the largest μc-Si grain size of ∼300–600 nm is obtained. Furthermore, HIT solar cell devices have been prepared for verifying the effect of P-doped μc-Si thin films as the n layer.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"705 ","pages":"Article 417094"},"PeriodicalIF":2.8,"publicationDate":"2025-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143549897","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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}

{"title":"Structural and spectroscopic properties of ZnO thin films with chaotic surface nanostructures","authors":"M.S. Al-Kotb,&nbsp;J.Z. Al-Waheidi,&nbsp;M.F. Kotkata","doi":"10.1016/j.physb.2025.417092","DOIUrl":"10.1016/j.physb.2025.417092","url":null,"abstract":"<div><div>The study examined the effects of nanomorphologies on electrical conductivity, Raman modes, and photoluminescence in two ZnO films grown by oxidizing metallic Zn on glass substrates. The first film, ZnO-TH1, exhibited distinct nano-granules, while the second film, ZnO-TH2, displayed highly crystalline, chaotic nanostructures, indicating potential applications in optoelectronics. X-ray diffraction analysis revealed a hexagonal wurtzite structure with a space group of P6₃mc. The films' electrical conductivity was temperature-dependent, with thermally activated conduction and variable-range hopping as the primary conduction mechanisms. The near-edge absorption ratios and Urbach energies were associated with reduced structural disorder and defect energy levels. The orientation of low-dimensional ZnO nanostructures significantly influenced the position, shape, and width of Raman spectral bands. The synthesized ZnO demonstrates potential for solid-state LED applications due to its nanoscale morphologies.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"705 ","pages":"Article 417092"},"PeriodicalIF":2.8,"publicationDate":"2025-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143529307","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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}

{"title":"Structural insights and electrochemical behavior of Co21.2O32 and Cu2CoO3for high-performance supercapacitor applications","authors":"Vankudothu Nagendar ,&nbsp;Anusha Purnakanti ,&nbsp;Obula Reddy Ankinapalli ,&nbsp;Durga Prasad Pabba ,&nbsp;Vasudeva Reddy Minnam Reddy ,&nbsp;M. Sreenath Reddy","doi":"10.1016/j.physb.2025.417080","DOIUrl":"10.1016/j.physb.2025.417080","url":null,"abstract":"<div><div>This study delves the structural, morphological, and electrochemical properties of Co_21.2O₃₂and Cu₂CoO₃ compounds for supercapacitor applications. X-ray diffraction (XRD) confirms the pure crystalline structures of Co_21.2O₃₂ (cubic, <strong><em>Fd-3m</em></strong>) and Cu₂CoO₃ (orthorhombic, <strong><em>Pmmn</em></strong>), with crystallite sizes of 35.925 nm and 29.518 nm, respectively. Field emission scanning electron microscopy (FESEM) reveals granular morphologies with average grain sizes of 559.67 nm for Co_21.2O₃₂and 676.98 nm for Cu₂CoO₃. Energy-dispersive X-ray spectroscopy (EDX) and X-ray photoelectron spectroscopy (XPS) confirm the elemental compositions and valence states, including the presence of oxygen vacancies that enhance electron hopping. Electrochemical analysis, including cyclic voltammetry (CV), galvanostatic charge-discharge (GCD), and electrochemical impedance spectroscopy (EIS), shows that Cu₂CoO₃ exhibits superior performance, with higher specific capacitance (1186 F g⁻¹ at 1 A/g) and excellent cycling stability (85 % retention after 10,000 cycles). The addition of copper improves conductivity, charge storage, and long-term durability, making Cu₂CoO₃ a promising candidate for energy storage applications.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"705 ","pages":"Article 417080"},"PeriodicalIF":2.8,"publicationDate":"2025-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143550477","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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}

{"title":"Synthesis of gallium (Ga) doped CdO/p-Si heterojunction and evaluation of junction parameters","authors":"Abdur Rouf,&nbsp;Md Saifur Rahman,&nbsp;M. Mojibur Rahman,&nbsp;M.S.I. Sarker,&nbsp;M.K.R. Khan","doi":"10.1016/j.physb.2025.417043","DOIUrl":"10.1016/j.physb.2025.417043","url":null,"abstract":"<div><div>In this work, Gallium (Ga) doped CdO:Ga/<em>p</em>-Si heterojunction thin films are fabricated by spray pyrolysis technique. Optical study of CdO and CdO:Ga films showed that the transparency ranges from 78 % to 73 % in the near infrared (NIR) region. Both the CdO and CdO:Ga films are direct band gap semiconductor and the band gap widens for different thickness of thin films. The photoluminescence (PL) study of CdO:Ga films grown on <em>p</em>-Si substrate showed two emission peaks for excitation wavelength 400 nm which are due to exciton emission and the band to band transition. The carrier concentrations for the CdO and CdO:Ga are found of the order of 10²⁰ cm⁻³ are the indication of <em>n</em>-type semiconductors. The rectifying diode behavior of the CdO:Ga/p-Si heterojunctions is confirmed by the Current-Voltage (I-V) characteristics. The good diode characteristics are revealed through the ideality factor and the C–V response of the heterostructures.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"706 ","pages":"Article 417043"},"PeriodicalIF":2.8,"publicationDate":"2025-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143620149","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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}

{"title":"Structural, optical, and electrical properties of copper-alloyed ZnO films deposited by the pulsed spray-pyrolysis with molecular solutions","authors":"Bohdan Boiko ,&nbsp;Maksym Yermakov ,&nbsp;Roman Pshenychnyi ,&nbsp;Oleksii Klymov ,&nbsp;Anatoliy Opanasyuk ,&nbsp;Oleksandr Dobrozhan ,&nbsp;Oleksii Diachenko ,&nbsp;Vicente Muñoz-Sanjosé","doi":"10.1016/j.physb.2025.417086","DOIUrl":"10.1016/j.physb.2025.417086","url":null,"abstract":"<div><div>This study shows the effect of Cu alloying ZnO (CZO) films (<em>x</em> = 1–7 at.%) on their structural, electrical, and optical properties. ZnO:Cu was synthesized by the pulsed spray-pyrolysis technique using molecular solutions. CZO films were studied by XRD, SEM, EDX, Raman and optical spectroscopy, and Hall effect measurements. XRD analysis proves the formation of single-phase films with a hexagonal wurtzite structure, further confirmed by Raman spectroscopy. EDX analysis showed the successful incorporation of Cu in the unit cell of ZnO at the concentrations of <em>x</em> = (1–7) at.%. CZO film at <em>x</em> = 1 at.% possessed the best microstructure characteristics, <em>i.e.</em>, <em>L</em>₍₁₀₀₎ <em>=</em> 22.4 nm; <em>ε</em>₍₁₀₀₎ <em>=</em> 5.9·10⁻³; <em>ρ</em>_{<em>εL</em>(100)} = 1.4·10¹⁶ lin∙m⁻². It was found that the band gap, <em>E</em>_g = 3.32 eV, in the non-alloyed ZnO films is not significatively changed upon Cu alloying, residing in the range of (3.32–3.33) eV. The low resistivity (<em>ρ</em> = 7.14 Ω cm) and high Hall mobility (<em>μ</em> = 385.91 сm²/V⋅s) were observed for the CZO films at <em>x</em> = 1 at.%. Thus the obtained CZO films by using the pulsed spray-pyrolysis methodology could be of interest for application in solar cells as window and charge collection layers, as determined by their properties.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"705 ","pages":"Article 417086"},"PeriodicalIF":2.8,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143519571","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}