Pub Date : 2024-07-05DOI: 10.1149/2162-8777/ad5fb9
Kavinkumar Ravikumar, M. Dangate
Triazole and propargyl group functionalities are frequently utilized in the construction of efficient blue-emitting materials, serving as acceptors and donors, respectively. Leveraging the synergistic effect of donor-acceptor coupling between these moieties, three new compounds, namely CB-But-I2, Ph-But-I2, and DP-But-I2, were synthesized. Given the advantageous strategy of combining electron donors and acceptors to optimize carrier injection and transport, CB-But-I2, Ph-But-I2, and DP-But-I2 demonstrate remarkable capabilities in both hole and electron transportation. A metal-free synthesis approach was employed to produce highly functionalized 1,2,3-triazole cores incorporating electronic donor and acceptor functionalities. This synthesis method involved the "Click reaction" ring formation between acetylene and azide compounds of 2-(4-bromobutyl) isoindoline-1,3-dione, catalyzed by copper sulfate pentahydrate and assisted by ascorbic acid as a base. The process boasts several advantages, including mild reaction conditions, accessibility of precursors, metal-free synthesis, straightforward setup, and the generation of various substituted regioselective triazole compounds in satisfactory yields. All synthesized compounds were found to possess thermal stability and exhibited fluorescence within the 292-355 nm range. Moreover, a significant positive solvato-chromic behavior was noted across different solvents with varying polarities, and the theoretical values were compared against experimental data for validation.
{"title":"Synthesis, Spectral & Electrochemical Properties, and Theoretical Studies of Highly Functionalized Fused Triazole-Isoindoline Derivatives as a Donor-Acceptor System","authors":"Kavinkumar Ravikumar, M. Dangate","doi":"10.1149/2162-8777/ad5fb9","DOIUrl":"https://doi.org/10.1149/2162-8777/ad5fb9","url":null,"abstract":"\u0000 Triazole and propargyl group functionalities are frequently utilized in the construction of efficient blue-emitting materials, serving as acceptors and donors, respectively. Leveraging the synergistic effect of donor-acceptor coupling between these moieties, three new compounds, namely CB-But-I2, Ph-But-I2, and DP-But-I2, were synthesized. Given the advantageous strategy of combining electron donors and acceptors to optimize carrier injection and transport, CB-But-I2, Ph-But-I2, and DP-But-I2 demonstrate remarkable capabilities in both hole and electron transportation. A metal-free synthesis approach was employed to produce highly functionalized 1,2,3-triazole cores incorporating electronic donor and acceptor functionalities. This synthesis method involved the \"Click reaction\" ring formation between acetylene and azide compounds of 2-(4-bromobutyl) isoindoline-1,3-dione, catalyzed by copper sulfate pentahydrate and assisted by ascorbic acid as a base. The process boasts several advantages, including mild reaction conditions, accessibility of precursors, metal-free synthesis, straightforward setup, and the generation of various substituted regioselective triazole compounds in satisfactory yields. All synthesized compounds were found to possess thermal stability and exhibited fluorescence within the 292-355 nm range. Moreover, a significant positive solvato-chromic behavior was noted across different solvents with varying polarities, and the theoretical values were compared against experimental data for validation.","PeriodicalId":11496,"journal":{"name":"ECS Journal of Solid State Science and Technology","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2024-07-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141675293","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-04DOI: 10.1149/2162-8777/ad5c01
Sruthy Subash, Abu Faizal, T. D. Mercy and K. Kamala Bharathi
All solid lithium-ion batteries (ASLB) have gained a lot of attention as it could deliver high energy and power density. In order to completely establish ASLB, proper understanding of solid electrolyte is very vital and the research from diverse point is still undergoing. Among them, NASICON-type phosphate based solid electrolytes are one of the promising materials due to good ionic conductivity and atmospheric stability. Addition of proper dopants into the parent material could cause an increment in their ionic conductivity as well as stability, thus fitting the material apt as solid electrolyte. This study aims in understanding the effect of ionic conductivity and stability of Lithium Aluminium Germanium Phosphate (LAGP) material upon adding Zinc as dopant material. We explored the effect of structural, ionic conductivity, stability against Li and Ac conductivity properties of Li1.5Al0.5−xZnxGe1.5(PO4)3 solid electrolyte with x = 0, 0.1 and 0.2. Our study showed that doping of aluminium with slightly bigger Zn ion could enhance the stability and conductivity of the material without changing the crystal structure. When x = 0.1 the ionic conductivity of the material attained is 1 × 10−5 S cm−1 at RT, which reaches 2.57 × 10−5 S cm−1 at 60 °C. Such a change in conductivity arises due to the expansion of ionic pathways which can be further tuned by exploring the limiting concentration 0 ≤ x < 0.1. Moreover, the sample also showed good stability at 0.03 and 0.05 mA cm−2 current densities against Li metal. Present study shows that Zn doping can improve the ionic conductivity of LAGP moderately and it can be used as a solid electrolyte for fabricating all-solid-state batteries.
全固态锂离子电池（ASLB）因其可提供高能量和高功率密度而备受关注。为了彻底建立全固态锂离子电池，正确理解固体电解质至关重要，目前仍在从不同角度进行研究。其中，NASICON 型磷酸盐固体电解质具有良好的离子传导性和大气稳定性，是很有前途的材料之一。在母体材料中添加适当的掺杂剂可提高其离子导电性和稳定性，从而使材料适合用作固体电解质。本研究旨在了解添加锌作为掺杂剂材料后，锂铝锗磷酸盐（LAGP）材料的离子电导率和稳定性的影响。我们探讨了 Li1.5Al0.5-xZnxGe1.5(PO4)3（x = 0、0.1 和 0.2）固态电解质的结构、离子导电性、对锂的稳定性和 Ac 导电性能的影响。我们的研究表明，在铝中掺入稍大的锌离子可以在不改变晶体结构的情况下提高材料的稳定性和导电性。当 x = 0.1 时，材料的离子电导率在常温下为 1 × 10-5 S cm-1，在 60 °C 时达到 2.57 × 10-5 S cm-1。这种电导率的变化是由于离子通路的扩展造成的，可以通过探索极限浓度 0 ≤ x < 0.1 来进一步调整。此外，该样品在 0.03 和 0.05 mA cm-2 电流密度下对锂金属也表现出良好的稳定性。本研究表明，掺杂锌可适度提高 LAGP 的离子电导率，它可用作制造全固态电池的固态电解质。
{"title":"Investigation of Zn Doped Li1.5Al0.5−xZnxGe1.5(PO4)3 (x = 0, 0.1 & 0.2) as a Solid Electrolyte for Li Ion Batteries","authors":"Sruthy Subash, Abu Faizal, T. D. Mercy and K. Kamala Bharathi","doi":"10.1149/2162-8777/ad5c01","DOIUrl":"https://doi.org/10.1149/2162-8777/ad5c01","url":null,"abstract":"All solid lithium-ion batteries (ASLB) have gained a lot of attention as it could deliver high energy and power density. In order to completely establish ASLB, proper understanding of solid electrolyte is very vital and the research from diverse point is still undergoing. Among them, NASICON-type phosphate based solid electrolytes are one of the promising materials due to good ionic conductivity and atmospheric stability. Addition of proper dopants into the parent material could cause an increment in their ionic conductivity as well as stability, thus fitting the material apt as solid electrolyte. This study aims in understanding the effect of ionic conductivity and stability of Lithium Aluminium Germanium Phosphate (LAGP) material upon adding Zinc as dopant material. We explored the effect of structural, ionic conductivity, stability against Li and Ac conductivity properties of Li1.5Al0.5−xZnxGe1.5(PO4)3 solid electrolyte with x = 0, 0.1 and 0.2. Our study showed that doping of aluminium with slightly bigger Zn ion could enhance the stability and conductivity of the material without changing the crystal structure. When x = 0.1 the ionic conductivity of the material attained is 1 × 10−5 S cm−1 at RT, which reaches 2.57 × 10−5 S cm−1 at 60 °C. Such a change in conductivity arises due to the expansion of ionic pathways which can be further tuned by exploring the limiting concentration 0 ≤ x < 0.1. Moreover, the sample also showed good stability at 0.03 and 0.05 mA cm−2 current densities against Li metal. Present study shows that Zn doping can improve the ionic conductivity of LAGP moderately and it can be used as a solid electrolyte for fabricating all-solid-state batteries.","PeriodicalId":11496,"journal":{"name":"ECS Journal of Solid State Science and Technology","volume":null,"pages":null},"PeriodicalIF":2.2,"publicationDate":"2024-07-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141548243","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-02DOI: 10.1149/2162-8777/ad5a3b
Syeda Wageeha Shakir, Muhammad Usman, Usman Habib, Shazma Ali and Laraib Mustafa
The optical features of far ultraviolet laser diodes (UV LDs) with peak wavelength emission of 221 nm have been numerically analyzed. Global research teams are developing aluminum gallium nitride (AlGaN)-based farUV LDs on Sapphire and AlN substrates as an alternative to Mercury lamps for air-water purification, polymer curing, and bio-medical devices. In this study, the light output power, internal quantum efficiency, stimulated recombination rate curve, and optical gain curve of the compositionally graded p-cladding layer (p-CL) were studied and show significant improvements. Therefore, the optimized structure can reduce the overflow of electrons and increase the injection of holes. This approach proves to be an efficient method for enhancing farUV LDs’ overall performance when compared to the reference structure.
{"title":"High-Power and High-Efficiency 221 nm AlGaN Far Ultraviolet Laser Diodes","authors":"Syeda Wageeha Shakir, Muhammad Usman, Usman Habib, Shazma Ali and Laraib Mustafa","doi":"10.1149/2162-8777/ad5a3b","DOIUrl":"https://doi.org/10.1149/2162-8777/ad5a3b","url":null,"abstract":"The optical features of far ultraviolet laser diodes (UV LDs) with peak wavelength emission of 221 nm have been numerically analyzed. Global research teams are developing aluminum gallium nitride (AlGaN)-based farUV LDs on Sapphire and AlN substrates as an alternative to Mercury lamps for air-water purification, polymer curing, and bio-medical devices. In this study, the light output power, internal quantum efficiency, stimulated recombination rate curve, and optical gain curve of the compositionally graded p-cladding layer (p-CL) were studied and show significant improvements. Therefore, the optimized structure can reduce the overflow of electrons and increase the injection of holes. This approach proves to be an efficient method for enhancing farUV LDs’ overall performance when compared to the reference structure.","PeriodicalId":11496,"journal":{"name":"ECS Journal of Solid State Science and Technology","volume":null,"pages":null},"PeriodicalIF":2.2,"publicationDate":"2024-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141548245","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-02DOI: 10.1149/2162-8777/ad5b87
MohammedMustafa Almarzoge, Metin Gencten and Gamzenur Ozsin
Sodium-ion batteries have been the focus of interest in recent years due to abundance and cost-effectiveness of sodium resources globally as opposed to lithium. In this work, sulfur-doped graphene oxide (SGO) was synthesized using a straightforward, one-step, cost-effective, and eco-friendly chronoamperometric method at room temperature. The resulting powder was then utilized as active anode material for Na-ion batteries. The surface of the synthesized SGO powder, which consists of approximately three layers with 19 sp2 hybridized carbon rings and a domain size of about 50 nm, is covalently doped with –C-SOx-C- (x = 2,3) groups. The deduced diffusion coefficient from electrochemical impedance spectroscopy and galvanostatic intermittent titration technique measurements for SGO as anode in NIBs is in the range of 10−11–10−12 cm2.s−1. At 0.1 C rate, the initial discharge capacity recorded 256.7 mAh.g−1 at 0.1 C rate. In addition, the capacity retention for long-term cycling of 100 cycles at 2 C rate was 99.85%. The unique structure of SGO allows us to achieve satisfactory anode performance in capacity and rate capability, with potential for further enhancement. Highlights SGO was used as anode for sodium ion batteries for the first time. At 0.1C-rate the initial discharge capacity of the battery was recorded 256.7 mAh.g−1. At the end of 100 cycle, capacity retention of the battery was 99.85%.at 2 C.
{"title":"Production of Sulphur-Doped Graphene Oxide as an Anode Material for Na-Ion Batteries","authors":"MohammedMustafa Almarzoge, Metin Gencten and Gamzenur Ozsin","doi":"10.1149/2162-8777/ad5b87","DOIUrl":"https://doi.org/10.1149/2162-8777/ad5b87","url":null,"abstract":"Sodium-ion batteries have been the focus of interest in recent years due to abundance and cost-effectiveness of sodium resources globally as opposed to lithium. In this work, sulfur-doped graphene oxide (SGO) was synthesized using a straightforward, one-step, cost-effective, and eco-friendly chronoamperometric method at room temperature. The resulting powder was then utilized as active anode material for Na-ion batteries. The surface of the synthesized SGO powder, which consists of approximately three layers with 19 sp2 hybridized carbon rings and a domain size of about 50 nm, is covalently doped with –C-SOx-C- (x = 2,3) groups. The deduced diffusion coefficient from electrochemical impedance spectroscopy and galvanostatic intermittent titration technique measurements for SGO as anode in NIBs is in the range of 10−11–10−12 cm2.s−1. At 0.1 C rate, the initial discharge capacity recorded 256.7 mAh.g−1 at 0.1 C rate. In addition, the capacity retention for long-term cycling of 100 cycles at 2 C rate was 99.85%. The unique structure of SGO allows us to achieve satisfactory anode performance in capacity and rate capability, with potential for further enhancement. Highlights SGO was used as anode for sodium ion batteries for the first time. At 0.1C-rate the initial discharge capacity of the battery was recorded 256.7 mAh.g−1. At the end of 100 cycle, capacity retention of the battery was 99.85%.at 2 C.","PeriodicalId":11496,"journal":{"name":"ECS Journal of Solid State Science and Technology","volume":null,"pages":null},"PeriodicalIF":2.2,"publicationDate":"2024-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141530498","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-02DOI: 10.1149/2162-8777/ad5a3c
Rohit Jasrotia, Anand Sharma, Jahangeer Ahmed, Ritesh Verma, Saad M. Alshehri, Natrayan Lakshmaiya, Mika Sillanpää, Rajinder Kumar and Virat Khanna
The sol-gel auto-combustion (SC) procedure was utilised to fabricate lanthanum-doped Mg-Zn nanostructures with the chemical composition, Mg0.6Zn0.4LaxFe2-xO4, (x = 0, 0.05, 0.10). X-ray diffraction showed nanocrystalline and single-phase of Mg-Zn nanostructures. The morphological traits showed formation of irregular and aggregated grains. Fourier transform infrared spectroscopy detected the formation of two characteristic band positions that fall within the range of 400 to 600 cm−1 and may occur because of stretching vibration within metal-oxygen (M-O) cations located at interstitial positions. From the M-H loops, the excellent values of magnetic factors, such as the saturation magnetization (Ms), rentivity (Mr), and coercivity (Hc) ranging from 35.30 to 44.79 emu g−1, 1.40 to 3.75 emu g−1, and 11.56 to 41.42 Oe were obtained. The loss tangent (tan δ) was observed to be miniscule for all of the samples due to which they can be useful for electronic applications. However, the initial values of the real permeability ( ) was high and it decreases until 4 GHz, after which it acquires a constant value for rest of frequency range. However, observed low values of the magnetic loss tangent (tan δμ) were due to the large grain size and the high densification of the samples.
{"title":"Lanthanum Substituted Mg-Zn Ferrite Nanostructures: A Comprehensive Study of Cation Distribution, Structural, Morphological, Optical, Magnetic, Dielectric, and Electromagnetic Traits","authors":"Rohit Jasrotia, Anand Sharma, Jahangeer Ahmed, Ritesh Verma, Saad M. Alshehri, Natrayan Lakshmaiya, Mika Sillanpää, Rajinder Kumar and Virat Khanna","doi":"10.1149/2162-8777/ad5a3c","DOIUrl":"https://doi.org/10.1149/2162-8777/ad5a3c","url":null,"abstract":"The sol-gel auto-combustion (SC) procedure was utilised to fabricate lanthanum-doped Mg-Zn nanostructures with the chemical composition, Mg0.6Zn0.4LaxFe2-xO4, (x = 0, 0.05, 0.10). X-ray diffraction showed nanocrystalline and single-phase of Mg-Zn nanostructures. The morphological traits showed formation of irregular and aggregated grains. Fourier transform infrared spectroscopy detected the formation of two characteristic band positions that fall within the range of 400 to 600 cm−1 and may occur because of stretching vibration within metal-oxygen (M-O) cations located at interstitial positions. From the M-H loops, the excellent values of magnetic factors, such as the saturation magnetization (Ms), rentivity (Mr), and coercivity (Hc) ranging from 35.30 to 44.79 emu g−1, 1.40 to 3.75 emu g−1, and 11.56 to 41.42 Oe were obtained. The loss tangent (tan δ) was observed to be miniscule for all of the samples due to which they can be useful for electronic applications. However, the initial values of the real permeability ( ) was high and it decreases until 4 GHz, after which it acquires a constant value for rest of frequency range. However, observed low values of the magnetic loss tangent (tan δμ) were due to the large grain size and the high densification of the samples.","PeriodicalId":11496,"journal":{"name":"ECS Journal of Solid State Science and Technology","volume":null,"pages":null},"PeriodicalIF":2.2,"publicationDate":"2024-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141513665","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-02DOI: 10.1149/2162-8777/ad5b86
Zein K. Heiba, M. M. Ghannam, Ali Badawi and Mohamed Bakr Mohamed
The current study aims to tailor the structure, optical and shielding characteristics of ZnMn2O4 nanostructures through Sn-doping. ZnMn2−xSnxO4 nanostructures were synthesized by the sol-gel technique. The sample containing 5% Sn exhibits the highest level of absorbance. ZnMn2−xSnxO4 system exhibits a maximum optical energy gap value of 2.55 eV when doped with 10% Sn, and a minimum optical energy gap value of 2.23 eV when doped with 5% Sn. The refractive index values of the samples containing 5 and 10% Sn are the highest in comparison to the other samples. The values of the non-linear optical parameters became maximum as x = 0.05. The radiation shielding constants were computed by Phy-X/PSD software. The half value length and tenth value length values reduced as ZnMn2O4 doped with Sn, implying that doped samples have better shielding capabilities than undoped ZnMn2O4. When compared to doped samples, ZnMn2O4 has the highest fast neutron removal cross-section value. ZnMn2-xSnxO4 samples demonstrate a greater rate of absorption for photons with lower energy as opposed to those with higher energy.
本研究旨在通过掺杂锡来定制 ZnMn2O4 纳米结构的结构、光学和屏蔽特性。采用溶胶-凝胶技术合成了 ZnMn2-xSnxO4 纳米结构。含 5%锡的样品吸光度最高。当掺杂 10% 锡时，ZnMn2-xSnxO4 系统显示出 2.55 eV 的最大光学能隙值，而当掺杂 5% 锡时，则显示出 2.23 eV 的最小光学能隙值。与其他样品相比，含 5%和 10%锡的样品折射率值最高。当 x = 0.05 时，非线性光学参数值达到最大。辐射屏蔽常数由 Phy-X/PSD 软件计算得出。当 ZnMn2O4 掺杂 Sn 时，其半值长度和十值长度值减小，这意味着掺杂样品比未掺杂 ZnMn2O4 具有更好的屏蔽能力。与掺杂样品相比，ZnMn2O4 的快中子去除截面值最高。与能量较高的光子相比，ZnMn2-xSnxO4 样品对能量较低的光子的吸收率更高。
{"title":"Tailoring the Structure, Optical and Shielding Characteristics of ZnMn2O4 Nanostructures through Sn-Doping","authors":"Zein K. Heiba, M. M. Ghannam, Ali Badawi and Mohamed Bakr Mohamed","doi":"10.1149/2162-8777/ad5b86","DOIUrl":"https://doi.org/10.1149/2162-8777/ad5b86","url":null,"abstract":"The current study aims to tailor the structure, optical and shielding characteristics of ZnMn2O4 nanostructures through Sn-doping. ZnMn2−xSnxO4 nanostructures were synthesized by the sol-gel technique. The sample containing 5% Sn exhibits the highest level of absorbance. ZnMn2−xSnxO4 system exhibits a maximum optical energy gap value of 2.55 eV when doped with 10% Sn, and a minimum optical energy gap value of 2.23 eV when doped with 5% Sn. The refractive index values of the samples containing 5 and 10% Sn are the highest in comparison to the other samples. The values of the non-linear optical parameters became maximum as x = 0.05. The radiation shielding constants were computed by Phy-X/PSD software. The half value length and tenth value length values reduced as ZnMn2O4 doped with Sn, implying that doped samples have better shielding capabilities than undoped ZnMn2O4. When compared to doped samples, ZnMn2O4 has the highest fast neutron removal cross-section value. ZnMn2-xSnxO4 samples demonstrate a greater rate of absorption for photons with lower energy as opposed to those with higher energy.","PeriodicalId":11496,"journal":{"name":"ECS Journal of Solid State Science and Technology","volume":null,"pages":null},"PeriodicalIF":2.2,"publicationDate":"2024-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141513666","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-06-23DOI: 10.1149/2162-8777/ad57ef
Danish Abdullah and Dinesh C. Gupta
We deployed density functional theory to assess the structural, electronic, elastic, and optical properties of ASiBr3 (A = K, Rb, and Cs). KSiBr3, RbSiBr3, and CsSiBr3 band structure profiles suggest they are semiconductors with direct band gaps of 0.34, 0.36, and 0.39 eV, respectively. The material’s dynamic stability is evidenced by the formation energies acquired negative values (−2.35, −2.18, and −2.08 for K, Rb, and Cs respectively). Mechanical characteristics and elastic constants measured suggest the compound’s mechanical stability and ductile character, which was assessed by calculating the Poissons ratio (>0.25) and Pugh’s ratio (>1.75). The research also explores optical properties, including the dielectric function, refractive index, reflectivity, optical conductivity, absorption coefficient, and extinction coefficient for the optical spectrum. The findings highlight possible applications for these materials in the semiconductor industry and modern electronic gadgets. The optical properties assessment reveals that these materials have strong optical absorption and conductivity, making these compounds the best prospects for usage in solar cells. CsSiBr3’s lower band gap renders it the superior choice for light-emitting diode (LED) and solar cell applications. Our findings may provide a complete understanding for experimentalists to pursue additional research leveraging applications in LEDs, photodetectors, or solar cells.
{"title":"First-Principles Study on the Optoelectronic and Mechanical Properties of Lead-Free Semiconductor Silicon Perovskites ASiBr3 (A = K, Rb, Cs)","authors":"Danish Abdullah and Dinesh C. Gupta","doi":"10.1149/2162-8777/ad57ef","DOIUrl":"https://doi.org/10.1149/2162-8777/ad57ef","url":null,"abstract":"We deployed density functional theory to assess the structural, electronic, elastic, and optical properties of ASiBr3 (A = K, Rb, and Cs). KSiBr3, RbSiBr3, and CsSiBr3 band structure profiles suggest they are semiconductors with direct band gaps of 0.34, 0.36, and 0.39 eV, respectively. The material’s dynamic stability is evidenced by the formation energies acquired negative values (−2.35, −2.18, and −2.08 for K, Rb, and Cs respectively). Mechanical characteristics and elastic constants measured suggest the compound’s mechanical stability and ductile character, which was assessed by calculating the Poissons ratio (>0.25) and Pugh’s ratio (>1.75). The research also explores optical properties, including the dielectric function, refractive index, reflectivity, optical conductivity, absorption coefficient, and extinction coefficient for the optical spectrum. The findings highlight possible applications for these materials in the semiconductor industry and modern electronic gadgets. The optical properties assessment reveals that these materials have strong optical absorption and conductivity, making these compounds the best prospects for usage in solar cells. CsSiBr3’s lower band gap renders it the superior choice for light-emitting diode (LED) and solar cell applications. Our findings may provide a complete understanding for experimentalists to pursue additional research leveraging applications in LEDs, photodetectors, or solar cells.","PeriodicalId":11496,"journal":{"name":"ECS Journal of Solid State Science and Technology","volume":null,"pages":null},"PeriodicalIF":2.2,"publicationDate":"2024-06-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141530552","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-06-23DOI: 10.1149/2162-8777/ad57f2
N. Hari Kumar
Nanoscale particles of neodymium-substituted cobalt-cadmium generic formula for nanoferrite Co0.4Cd0.6NdxFe2−xO4 samples at X = 0.000, 0.003, 0.005, 0.007, 0.009, and 0.011 were studied. The prepared powders were synthesised at low temperatures using citrate gel auto-combustion process. The synthesised powders were calcined at 500 °C for four hours. The morphological properties of the sintered powders were investigated, and their crystal structure was determined by X-ray diffraction (XRD) and scanning electron microscopy (SEM). XRD peaks confirmed the spinel ferrite structure. The lattice parameter was calculated from the XRD and showed decreasing trends with 8.442 to 8.308. SEM revealed an irregularly-shaped grain morphology with a homogeneous distribution. Raman spectroscopy analysis showed slight frequency changes in the Raman modes in doped samples, attributed to variations in the cation distribution. The peaks are located at 191, 291, 461, 591, and 671 cm−1. UV spectroscopy studies showed that the energy band gap values decrease with increasing Nd3+ concentration. Direct optical band gap values obtained were 1.238, 1.248, 1.199, 1.135, 1.134, and 1.101 eV with increasing Nd doping. The magnetic hysteresis properties were determined using a SQUID-VSM magnetometer. The hysteresis curves of Co0.4Cd0.6NdxFe2−xO4 nanoparticles show an increase in coercivity with increasing doping concentration. This enhancement is attributed to the multi-domain behaviour.
{"title":"Rare Earth Nd3+ Doping Cobalt-Cadmium Nanoferrites Structural, Optical, and Magnetic Properties and Applications","authors":"N. Hari Kumar","doi":"10.1149/2162-8777/ad57f2","DOIUrl":"https://doi.org/10.1149/2162-8777/ad57f2","url":null,"abstract":"Nanoscale particles of neodymium-substituted cobalt-cadmium generic formula for nanoferrite Co0.4Cd0.6NdxFe2−xO4 samples at X = 0.000, 0.003, 0.005, 0.007, 0.009, and 0.011 were studied. The prepared powders were synthesised at low temperatures using citrate gel auto-combustion process. The synthesised powders were calcined at 500 °C for four hours. The morphological properties of the sintered powders were investigated, and their crystal structure was determined by X-ray diffraction (XRD) and scanning electron microscopy (SEM). XRD peaks confirmed the spinel ferrite structure. The lattice parameter was calculated from the XRD and showed decreasing trends with 8.442 to 8.308. SEM revealed an irregularly-shaped grain morphology with a homogeneous distribution. Raman spectroscopy analysis showed slight frequency changes in the Raman modes in doped samples, attributed to variations in the cation distribution. The peaks are located at 191, 291, 461, 591, and 671 cm−1. UV spectroscopy studies showed that the energy band gap values decrease with increasing Nd3+ concentration. Direct optical band gap values obtained were 1.238, 1.248, 1.199, 1.135, 1.134, and 1.101 eV with increasing Nd doping. The magnetic hysteresis properties were determined using a SQUID-VSM magnetometer. The hysteresis curves of Co0.4Cd0.6NdxFe2−xO4 nanoparticles show an increase in coercivity with increasing doping concentration. This enhancement is attributed to the multi-domain behaviour.","PeriodicalId":11496,"journal":{"name":"ECS Journal of Solid State Science and Technology","volume":null,"pages":null},"PeriodicalIF":2.2,"publicationDate":"2024-06-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141513602","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-06-17DOI: 10.1149/2162-8777/ad5589
Ritesh Verma, Muskan Saini, Ankush Chauhan, Rohit Jasrotia, Rahul Kalia, Leena Bhardwaj and Atul Thakur
Herein, we synthesized Ba0.9-xCa0.1SrxTi0.8Zr0.2O3(x = 0.05, 0.1, 0.15, 0.2) ceramic samples by employing a solid-state reaction technique. The variation of dielectric constant is studied concerning temperature in the range 1 kHz to 1 MHz frequency. Variation of dielectric constant ( ) with temperature reveals that charge carrier dispersion pushes the transition temperature towards higher frequency. Impedance analysis reveals that the maximum value of the imaginary part of impedance i.e., maxima, increases in all samples except for x = 0.05, which shows the opposite behaviour. This behaviour is due to the calcium (Ca2+) substitution at the titanium (Ti4+)-site at low doping concentration of Sr2+ ions. Nyquist plots show the presence of a single semi-circular arc, indicating the contribution of resistance and capacitance through grain boundary. PE hysteresis loops reveal that the values of saturation polarization ( ) decrease with increasing Sr-doping, from 10.989 μC cm−2 to 6.586 μC cm−2, whereas the remnant polarization ( ) shows variable values with increasing Sr-doping.
在此，我们采用固态反应技术合成了 Ba0.9-xCa0.1SrxTi0.8Zr0.2O3（x = 0.05、0.1、0.15、0.2）陶瓷样品。在 1 kHz 至 1 MHz 频率范围内，研究了介电常数随温度的变化。介电常数（ ）随温度的变化表明，电荷载流子的分散将过渡温度推向更高的频率。阻抗分析表明，除了 x = 0.05 样品的阻抗虚部最大值（即最大值）与 x = 0.05 样品的情况相反外，其他所有样品的阻抗虚部最大值都在增加。这种行为是由于在 Sr2+ 离子掺杂浓度较低时，钙（Ca2+）取代了钛（Ti4+）位点。奈奎斯特图显示存在单个半圆弧，表明电阻和电容通过晶界产生。PE 磁滞环显示，饱和极化值（ ）随着 Sr 掺杂量的增加而降低，从 10.989 μC cm-2 降至 6.586 μC cm-2，而残余极化值（ ）则随着 Sr 掺杂量的增加而变化。
{"title":"Electrical and Ferroelectric Properties of Strontium Doped Lead-Free BCZT Ceramics","authors":"Ritesh Verma, Muskan Saini, Ankush Chauhan, Rohit Jasrotia, Rahul Kalia, Leena Bhardwaj and Atul Thakur","doi":"10.1149/2162-8777/ad5589","DOIUrl":"https://doi.org/10.1149/2162-8777/ad5589","url":null,"abstract":"Herein, we synthesized Ba0.9-xCa0.1SrxTi0.8Zr0.2O3(x = 0.05, 0.1, 0.15, 0.2) ceramic samples by employing a solid-state reaction technique. The variation of dielectric constant is studied concerning temperature in the range 1 kHz to 1 MHz frequency. Variation of dielectric constant ( ) with temperature reveals that charge carrier dispersion pushes the transition temperature towards higher frequency. Impedance analysis reveals that the maximum value of the imaginary part of impedance i.e., maxima, increases in all samples except for x = 0.05, which shows the opposite behaviour. This behaviour is due to the calcium (Ca2+) substitution at the titanium (Ti4+)-site at low doping concentration of Sr2+ ions. Nyquist plots show the presence of a single semi-circular arc, indicating the contribution of resistance and capacitance through grain boundary. PE hysteresis loops reveal that the values of saturation polarization ( ) decrease with increasing Sr-doping, from 10.989 μC cm−2 to 6.586 μC cm−2, whereas the remnant polarization ( ) shows variable values with increasing Sr-doping.","PeriodicalId":11496,"journal":{"name":"ECS Journal of Solid State Science and Technology","volume":null,"pages":null},"PeriodicalIF":2.2,"publicationDate":"2024-06-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141502833","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
We propose a novel silicon-on-nothing (SON) structure with an air sub-fin for suppressing the parasitic channel effects on stacked Si nanosheets (NS) gate-all-around (GAA) transistors and a systematic investigation is carried out by 3D TCAD simulation. The SON structure could be fabricated using a backside selective etching technique. The proposed SON NSFETs with a designed air sub-fin structure demonstrates systematic advantages, including 40% off-state current reduction in the sub-channel, and 51.37% promotion for on-off current ratio (ION/IOFF) and 7.04% reduction in effective capacitance. Moreover, there is approximately 21.62% power reduction under the same frequency, and about 16.30% energy reduction under the same delay in 17-stage ring oscillators (ROs). The SON NSFETs-based 6T-SRAM exhibits decreased read time and write time by 14.66% and 67.53%, respectively, compared with those of the conventional GAA NSFETs-based 6T-SRAM.
{"title":"Stacked Si Nanosheets Gate-All-Around Transistors with Silicon-on-Nothing Structure for Suppressing Parasitic Effects and Improving Circuits’ Performance","authors":"Lianlian Li, Lei Cao, Xuexiang Zhang, Qingkun Li, Meihe Zhang, Zhenhua Wu, Guanqiao Sang, Renjie Jiang, Peng Wang, Yunjiao Bao, Qingzhu Zhang, Anyan Du, Huaxiang Yin","doi":"10.1149/2162-8777/ad5106","DOIUrl":"https://doi.org/10.1149/2162-8777/ad5106","url":null,"abstract":"We propose a novel silicon-on-nothing (SON) structure with an air sub-fin for suppressing the parasitic channel effects on stacked Si nanosheets (NS) gate-all-around (GAA) transistors and a systematic investigation is carried out by 3D TCAD simulation. The SON structure could be fabricated using a backside selective etching technique. The proposed SON NSFETs with a designed air sub-fin structure demonstrates systematic advantages, including 40% off-state current reduction in the sub-channel, and 51.37% promotion for on-off current ratio (I<sub>ON</sub>/I<sub>OFF</sub>) and 7.04% reduction in effective capacitance. Moreover, there is approximately 21.62% power reduction under the same frequency, and about 16.30% energy reduction under the same delay in 17-stage ring oscillators (ROs). The SON NSFETs-based 6T-SRAM exhibits decreased read time and write time by 14.66% and 67.53%, respectively, compared with those of the conventional GAA NSFETs-based 6T-SRAM.","PeriodicalId":11496,"journal":{"name":"ECS Journal of Solid State Science and Technology","volume":null,"pages":null},"PeriodicalIF":2.2,"publicationDate":"2024-06-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141502832","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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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