Physica B-condensed Matter最新文献

英文中文

Exploring the structural, electronic, mechanical and optical behavior of two phases of topological superconductor candidate Au2Pb by first-principles calculations

IF 2.8 3区物理与天体物理 Q2 PHYSICS, CONDENSED MATTER

Physica B-condensed Matter

Pub Date : 2025-03-03 DOI: 10.1016/j.physb.2025.417112

Maliha Tabassum, Suptajoy Barua, Md. Thouhidur Rashid, Ishtiaque M. Syed

A vital initial step towards comprehending quantum materials with topologically non-trivial order parameters is to study superconductivity in Dirac materials. In this work, we thoroughly analyzed the elastic, electronic, and optical characteristics of two phases (cubic Laves phase and orthorhombic phase) of topological superconductor candidate Au₂Pb by using density functional theory. High-temperature cubic Au₂Pb has an electronic band structure with a Dirac cone that gaps as it transforms structurally into a low-temperature superconducting orthorhombic phase. Au₂Pb is a mechanically stable, ductile, highly machinable, and very soft material according to the analyses of calculated elastic properties. An extremely low Debye temperature value indicates that Au₂Pb is a very soft substance and supports the idea that its bonding strengths are weak. The material also shows anisotropic optical characteristics in the orthorhombic phase. Au₂Pb has extremely dispersive bands that extend above the Fermi level, which exhibits its metallic characteristics. Au₂Pb has high, nonselective reflectivity over a broad spectral spectrum. The substance has enormous potential to be used as a powerful UV reflector. Applications based on optoelectronic devices can make use of all these optical properties.

{"title":"Exploring the structural, electronic, mechanical and optical behavior of two phases of topological superconductor candidate Au2Pb by first-principles calculations","authors":"Maliha Tabassum, Suptajoy Barua, Md. Thouhidur Rashid, Ishtiaque M. Syed","doi":"10.1016/j.physb.2025.417112","DOIUrl":"10.1016/j.physb.2025.417112","url":null,"abstract":"<div><div>A vital initial step towards comprehending quantum materials with topologically non-trivial order parameters is to study superconductivity in Dirac materials. In this work, we thoroughly analyzed the elastic, electronic, and optical characteristics of two phases (cubic Laves phase and orthorhombic phase) of topological superconductor candidate Au2Pb by using density functional theory. High-temperature cubic Au2Pb has an electronic band structure with a Dirac cone that gaps as it transforms structurally into a low-temperature superconducting orthorhombic phase. Au2Pb is a mechanically stable, ductile, highly machinable, and very soft material according to the analyses of calculated elastic properties. An extremely low Debye temperature value indicates that Au2Pb is a very soft substance and supports the idea that its bonding strengths are weak. The material also shows anisotropic optical characteristics in the orthorhombic phase. Au2Pb has extremely dispersive bands that extend above the Fermi level, which exhibits its metallic characteristics. Au2Pb has high, nonselective reflectivity over a broad spectral spectrum. The substance has enormous potential to be used as a powerful UV reflector. Applications based on optoelectronic devices can make use of all these optical properties.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"706 ","pages":"Article 417112"},"PeriodicalIF":2.8,"publicationDate":"2025-03-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143579502","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}

引用次数: 0

Neutron diffraction and critical behavior study on (Mn, Co)2Sn single crystals

IF 2.8 3区物理与天体物理 Q2 PHYSICS, CONDENSED MATTER

Physica B-condensed Matter

Pub Date : 2025-03-03 DOI: 10.1016/j.physb.2025.417113

Shaohua Fan , Baochun Wu , Xiaobai Ma , Jianxiang Gao , Zhimeng Liu , Wenyun Yang , Zhongchong Lin , Yanli Li , Zhaochu Luo , Changsheng Wang , Shunquan Liu , Dongfeng Chen , Jinbo Yang , Honglin Du

In this study, the structure and exchange interaction of Ni₂In type (P6₃/mmc) (Mn, Co)₂Sn single crystals were investigated using neutron diffraction, bulk magnetization, and the first-principle calculation. In Mn_1.8Co_0.2Sn, Co occupies only the 2d site and the magnetic cell is doubled along the c axis below T_t. Although the M_s, T_c, T_t, -ΔS_M^max, and RCP of Mn_1.8Co_0.2Sn are lower than that of Mn₂Sn, Mn_1.8Co_0.2Sn enhances the magnetocrystalline anisotropy and coercivity. The critical exponents and T_c were determined (β = 0.417, γ = 1.189, δ = 3.852, T_c = 232 K for Mn₂Sn. β = 0.532, γ = 1.387, δ = 3.607, T_c = 130 K for Mn_1.8Co_0.2Sn). The critical behaviors indicate that Co doping improves the spin dimensionality and enlarges the range of spin interactions. The results of first-principle calculations show that there is a strong positive exchange interaction between the 3d electrons of Mn1 and Co.

{"title":"Neutron diffraction and critical behavior study on (Mn, Co)2Sn single crystals","authors":"Shaohua Fan , Baochun Wu , Xiaobai Ma , Jianxiang Gao , Zhimeng Liu , Wenyun Yang , Zhongchong Lin , Yanli Li , Zhaochu Luo , Changsheng Wang , Shunquan Liu , Dongfeng Chen , Jinbo Yang , Honglin Du","doi":"10.1016/j.physb.2025.417113","DOIUrl":"10.1016/j.physb.2025.417113","url":null,"abstract":"<div><div>In this study, the structure and exchange interaction of Ni2In type (P63/mmc) (Mn, Co)2Sn single crystals were investigated using neutron diffraction, bulk magnetization, and the first-principle calculation. In Mn1.8Co0.2Sn, Co occupies only the 2d site and the magnetic cell is doubled along the c axis below Tt. Although the Ms, Tc, Tt, -ΔSMmax, and RCP of Mn1.8Co0.2Sn are lower than that of Mn2Sn, Mn1.8Co0.2Sn enhances the magnetocrystalline anisotropy and coercivity. The critical exponents and Tc were determined (β = 0.417, γ = 1.189, δ = 3.852, Tc = 232 K for Mn2Sn. β = 0.532, γ = 1.387, δ = 3.607, Tc = 130 K for Mn1.8Co0.2Sn). The critical behaviors indicate that Co doping improves the spin dimensionality and enlarges the range of spin interactions. The results of first-principle calculations show that there is a strong positive exchange interaction between the 3d electrons of Mn1 and Co.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"705 ","pages":"Article 417113"},"PeriodicalIF":2.8,"publicationDate":"2025-03-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143549586","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}

引用次数: 0

Incoherent second-harmonic generation by NaNbO3 nanocrystals with sizes from ≈ 60 nm to ≈ 100 nm

IF 2.8 3区物理与天体物理 Q2 PHYSICS, CONDENSED MATTER

Physica B-condensed Matter

Pub Date : 2025-03-02 DOI: 10.1016/j.physb.2025.417105

Manoel L. da Silva-Neto , Renato Barbosa-Silva , Tasso O. Sales , Jefferson F. Silva , Carlos Jacinto , Cid B. de Araújo

The second-order nonlinearity of sodium niobate (NaNbO₃) nanocrystals (NCs) was investigated as a function of their size. NCs with average dimensions from

\approx

60 nm to

\approx

100 nm were synthesized by the Pechini's method, and the studies were carried out by using the hyper-Rayleigh scattering technique to investigate the efficiency of incoherent second harmonic generation. A Nd:YAG laser (1064 nm, 7 ns, 10 Hz) was the excitation source which generated emission centered at 532 nm. The measured nonlinear (NL) optical coefficient,

d

, proportional to the first order hyperpolarizability, increases with decreasing the average particle size, ranging from 3.2 p.m./V to 4.7 pm/V. The results corroborate the previous reports that indicated NaNbO₃ NCs as highly promising for bioimaging microscopy and confirm their large potential for devices based on NL optical phenomena.

{"title":"Incoherent second-harmonic generation by NaNbO3 nanocrystals with sizes from ≈ 60 nm to ≈ 100 nm","authors":"Manoel L. da Silva-Neto , Renato Barbosa-Silva , Tasso O. Sales , Jefferson F. Silva , Carlos Jacinto , Cid B. de Araújo","doi":"10.1016/j.physb.2025.417105","DOIUrl":"10.1016/j.physb.2025.417105","url":null,"abstract":"<div><div>The second-order nonlinearity of sodium niobate (NaNbO3) nanocrystals (NCs) was investigated as a function of their size. NCs with average dimensions from <math><mrow><mo>≈</mo></mrow></math> 60 nm to <math><mrow><mo>≈</mo></mrow></math> 100 nm were synthesized by the Pechini's method, and the studies were carried out by using the hyper-Rayleigh scattering technique to investigate the efficiency of incoherent second harmonic generation. A Nd:YAG laser (1064 nm, 7 ns, 10 Hz) was the excitation source which generated emission centered at 532 nm. The measured nonlinear (NL) optical coefficient, <math><mrow><mi>d</mi></mrow></math>, proportional to the first order hyperpolarizability, increases with decreasing the average particle size, ranging from 3.2 p.m./V to 4.7 pm/V. The results corroborate the previous reports that indicated NaNbO3 NCs as highly promising for bioimaging microscopy and confirm their large potential for devices based on NL optical phenomena.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"706 ","pages":"Article 417105"},"PeriodicalIF":2.8,"publicationDate":"2025-03-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143609728","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}

引用次数: 0

Discovery of a new soft metallic monolayer BPt2

IF 2.8 3区物理与天体物理 Q2 PHYSICS, CONDENSED MATTER

Physica B-condensed Matter

Pub Date : 2025-03-01 DOI: 10.1016/j.physb.2025.417052

Ceren Tayran , Yelda Kadioglu

We predict a new nonmagnetic monolayer BPt₂, a structural analog of two-dimensional MoS₂. This material exhibits a soft and elastic nature, with a Young’s modulus of 12.3 N/m, making it suitable for flexible and wearable electronics. BPt₂ monolayer is a robust metal that retains its metallicity even under many external factors such as strain, surface termination, and foreign atom adsorption. Due to the robust metallic nature, it prompted our investigation into BPt₂’s potential as an electrode material for next-generation metal ion batteries. Li, Na, Ca and Mg atoms could steadily adsorb onto the BPt₂ monolayer and storage capacity is comparable to the literature while diffusion barrier energies (31 meV for Mg, 48 meV for Ca, 70 meV for Na, 91 meV for Li) much lower than those of most high-capacity 2D materials. Apart from the industrial applications, it is also important from the physical and chemical perspective as a newly discovered monolayer introduced to the literature.

引用次数: 0

Ab-initio computations of zirconium-doped barium sulfide’s induced ferromagnetism for spintronics applications

IF 2.8 3区物理与天体物理 Q2 PHYSICS, CONDENSED MATTER

Physica B-condensed Matter

Pub Date : 2025-03-01 DOI: 10.1016/j.physb.2025.417073

Abdelhamid Amahouch , Nadia Mediane , Rachid Ahl Laamara , Lalla Btissam Drissi

In this paper, within the framework of density functional theory (DFT), both with and without the Hubbard correction (U) and the spin–orbit coupling (SOC) effect, the changes in the electronic and magnetic characteristics of BaS brought by Zr doping at different concentrations ( from 3% to 8%) are examined. All computations show half-metallic ferromagnetic behavior with 100% polarization, with the exception of the GGA+SOC case, which results in metallic behavior. The ferromagnetic interaction in the material is caused by double exchange coupling. Our findings further show that the typical DFT description is greatly enhanced by the correction, both with the U-term alone and with SOC combined with the U correction. Lastly, Curie’s temperatures, which rise to 505 K, 690 K, and 770 K for GGA+U+SOC, GGA, and GGA+U, respectively, are higher than the room temperature, indicating the potential of Zr doped BaS for the future of spintronic industry.

引用次数: 0

Thermal-electric energy conversion of ferroelectrics modulated by electric field

IF 2.8 3区物理与天体物理 Q2 PHYSICS, CONDENSED MATTER

Physica B-condensed Matter

Pub Date : 2025-03-01 DOI: 10.1016/j.physb.2025.417104

Wanqiang Cao , Ruikun Pan

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.

引用次数: 0

First-Principles study on CO, CO2 and CH4 capture on Mg-MOF-74

IF 2.8 3区物理与天体物理 Q2 PHYSICS, CONDENSED MATTER

Physica B-condensed Matter

Pub Date : 2025-02-28 DOI: 10.1016/j.physb.2025.417071

Dipak Adhikari , Ravi Karki , Kapil Adhikari , Nurapati Pantha

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.

{"title":"First-Principles study on CO, CO2 and CH4 capture on Mg-MOF-74","authors":"Dipak Adhikari , Ravi Karki , Kapil Adhikari , 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}

引用次数: 0

Comprehensive analysis of structural, optical, and photocatalytic properties of single-phase calcium vanadates: Insights into CaV2O6 and Ca2V2O7

IF 2.8 3区物理与天体物理 Q2 PHYSICS, CONDENSED MATTER

Physica B-condensed Matter

Pub Date : 2025-02-28 DOI: 10.1016/j.physb.2025.417095

N. Abhiram , Bagavathy Shunmughananthan , Ajay Kesavan , Mohammed Mujahid Alam , Abdullah G. Al-Sehemi , Thangaraju Dheivasigamani

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.

{"title":"Comprehensive analysis of structural, optical, and photocatalytic properties of single-phase calcium vanadates: Insights into CaV2O6 and Ca2V2O7","authors":"N. Abhiram , Bagavathy Shunmughananthan , Ajay Kesavan , Mohammed Mujahid Alam , Abdullah G. Al-Sehemi , 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}

引用次数: 0

Tunneling of Dirac fermions in graphene nanostructure modulated by time dependent rectangular wave potential

IF 2.8 3区物理与天体物理 Q2 PHYSICS, CONDENSED MATTER

Physica B-condensed Matter

Pub Date : 2025-02-27 DOI: 10.1016/j.physb.2025.417091

R. Biswas , S. Mukhopadhyay , C. Sinha

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

α (= V_{0} / ℏ ω)

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.

{"title":"Tunneling of Dirac fermions in graphene nanostructure modulated by time dependent rectangular wave potential","authors":"R. Biswas , S. Mukhopadhyay , 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 <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> 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}

引用次数: 0

Electronic environments, optical and electrochemical properties of FeAlOx/reduced graphene oxide nanocomposites

IF 2.8 3区物理与天体物理 Q2 PHYSICS, CONDENSED MATTER

Physica B-condensed Matter

Pub Date : 2025-02-27 DOI: 10.1016/j.physb.2025.417078

Sumitra Dutta , Aishwarya Madhuri , Sanketa Jena , Soumyadeep Laha , Bibhu P. Swain

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.

{"title":"Electronic environments, optical and electrochemical properties of FeAlOx/reduced graphene oxide nanocomposites","authors":"Sumitra Dutta , Aishwarya Madhuri , Sanketa Jena , Soumyadeep Laha , 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 (FeOx-AlOx/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 AlOx concentration. The sp3 to sp2 carbon ratio, ID/IG, increases from 1.16 to 1.36 from 0 to 50 wt% AlOx decreased to 1.19 for the further increment of AlOx. The degree of passivation, ID1/IG and degree of stacking fault, ID3/IG, decreased from 0.55 to 0.23 and 0.24 to 0.08 for FeOx/rGO and (FeOx)0.25-(AlOx)0.75/rGO respectively, further increased to 0.33 and 0.32 for AlOx/rGO NC, respectively. The degree of dislocation, ID2/IG, decreased from 0.55 to 0.07, reducing the defects in the graphene structure by increasing AlOx wt.% of (FeOx)0.5-(AlOx)0.5/rGO NC. The highest specific capacitance, Csp is observed at 434 and 292.95 F g−1 for (FeOx)0.75-(AlOx)0.25/rGO NC by cyclic voltammetry and galvanostatic charge-discharge measurements, respectively. Maximum Cdl and minimum Rct of 3.04 × 10−9 Fg−1 and 120.93 Ω were observed for 75 wt% of AlOx content. The protective layer of FeOx 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}

引用次数: 0

首页上一页

下一页尾页

类型

全部化学•材料生命科学医学物理工程技术环境•农林材料科学地球科学法学管理学化学环境科学与生态学计算机科学教育学经济学农林科学人文科学生物学数学物理与天体物理心理学综合性期刊其他工业工程理学历史学农学文学信息工程

数据库

全部 ACS Publications Elsevier ieeexplore Springer The Royal Society of Chemistry Wiley

期刊

Physica B-condensed Matter

全部 Acc. Chem. Res. ACS Applied Bio Materials ACS Appl. Electron. Mater. ACS Appl. Energy Mater. ACS Appl. Mater. Interfaces ACS Appl. Nano Mater. ACS Appl. Polym. Mater. ACS BIOMATER-SCI ENG ACS Catal. ACS Cent. Sci. ACS Chem. Biol. ACS Chemical Health & Safety ACS Chem. Neurosci. ACS Comb. Sci. ACS Earth Space Chem. ACS Energy Lett. ACS Infect. Dis. ACS Macro Lett. ACS Mater. Lett. ACS Med. Chem. Lett. ACS Nano ACS Omega ACS Photonics ACS Sens. ACS Sustainable Chem. Eng. ACS Synth. Biol. Anal. Chem. BIOCHEMISTRY-US Bioconjugate Chem. BIOMACROMOLECULES Chem. Res. Toxicol. Chem. Rev. Chem. Mater. CRYST GROWTH DES ENERG FUEL Environ. Sci. Technol. Environ. Sci. Technol. Lett. Eur. J. Inorg. Chem. IND ENG CHEM RES Inorg. Chem. J. Agric. Food. Chem. J. Chem. Eng. Data J. Chem. Educ. J. Chem. Inf. Model. J. Chem. Theory Comput. J. Med. Chem. J. Nat. Prod. J PROTEOME RES J. Am. Chem. Soc. LANGMUIR MACROMOLECULES Mol. Pharmaceutics Nano Lett. Org. Lett. ORG PROCESS RES DEV ORGANOMETALLICS J. Org. Chem. J. Phys. Chem. J. Phys. Chem. A J. Phys. Chem. B J. Phys. Chem. C J. Phys. Chem. Lett. Analyst Anal. Methods Biomater. Sci. Catal. Sci. Technol. Chem. Commun. Chem. Soc. Rev. CHEM EDUC RES PRACT CRYSTENGCOMM Dalton Trans. Energy Environ. Sci. ENVIRON SCI-NANO ENVIRON SCI-PROC IMP ENVIRON SCI-WAT RES Faraday Discuss. Food Funct. Green Chem. Inorg. Chem. Front. Integr. Biol. J. Anal. At. Spectrom. J. Mater. Chem. A J. Mater. Chem. B J. Mater. Chem. C Lab Chip Mater. Chem. Front. Mater. Horiz. MEDCHEMCOMM Metallomics Mol. Biosyst. Mol. Syst. Des. Eng. Nanoscale Nanoscale Horiz. Nat. Prod. Rep. New J. Chem. Org. Biomol. Chem. Org. Chem. Front. PHOTOCH PHOTOBIO SCI PCCP Polym. Chem.

﹀