Article
Biochemistry & Molecular Biology
Ife Fortunate Elegbeleye, Nnditshedzeni Eric Maluta, Rapela Regina Maphanga
Summary: This research used density functional theory to study the optical and electronic properties of three modeled TiO2 brookite clusters, showing absorption peaks around 200-400 nm and band gaps of 1.10, 2.31, and 1.37 eV for (TiO2)(5), (TiO2)(8), and (TiO2)(68) clusters respectively.
Article
Energy & Fuels
Karina Khan, Ushma Ahuja, Amit Soni, Jagrati Sahariya
Summary: This paper presents first principle investigations on the structural and optoelectronic properties of pure, n-type, p-type, and co-doped MgSiP2 chalcopyrite compounds. The results obtained from density functional theory calculations are consistent with previous experimental and theoretical data, confirming the accuracy of the computations. The electronic and optical responses of the compounds were analyzed, showing significant changes in energy band gap and absorption range, especially in the co-doped compound, suggesting their potential for photovoltaic applications.
INTERNATIONAL JOURNAL OF ENERGY RESEARCH
(2022)
Article
Engineering, Electrical & Electronic
J. O. Akinlami, O. S. Onma, M. O. Omeike, B. Adetunji, G. A. Adebayo
Summary: This study investigates the structural, electronic, and optical properties of BxCo4-xSb12 alloys using density functional theory calculations. The results show variations in electronic band gaps and density of states among different compounds, with Co-3d orbitals dominating the electronic states. Optical properties suggest strong responses in the infrared and visible region, indicating the potential nanostructure of BxCo4-xSb12 alloys for applications in wave guides, photonic circuits, and nanoelectronics.
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING
(2022)
Article
Materials Science, Multidisciplinary
Suqin Xue, Jing Ning, Bohang Zhang, Qiao Wu, Fuchun Zhang, Weibin Zhang
Summary: In this study, the electronic structural and optical properties of CdGeAs2 crystals were calculated. The results showed that CdGeAs2 is an optical crystal with a direct bandgap of 0.71 eV, strong absorption and reflection in the ultraviolet region, and strong transmittance in the infrared region. CdGeAs2 is considered to be an excellent optical material with potential applications in the middle and far infrared.
Article
Chemistry, Inorganic & Nuclear
Muhammad Usman Ghani, Muhammad Sagir, Muhammad Bilal Tahir, H. I. Elsaeedy, Saima Nazir, Hussein Alrobei, Meshal Alzaid
Summary: This study tests the structural, electronic, and optical properties of RbXCl3 (X = Ge, Sn, Pb) using the Cambridge Assembly Serial Total Energy Package (CASTEP) based on density functional theory (DFT). DFT with the Generalized Gradient Approximation GGA correlational function and ultra-soft pseudo potential (PBE) is used. RbGeCl3, RbSnCl3, and RbPbCl3 are found to be in the cubic phase. The calculated band gaps of RbGeCl3, RbSnCl3, and RbPbCl3 are 1.03, 1.07, and 2.13 eV, respectively. The study also discusses the band structures, optical properties, and potential applications of the materials.
INORGANIC CHEMISTRY COMMUNICATIONS
(2023)
Article
Crystallography
Bohang Zhang, Gaihui Liu, Huihui Shi, Qiao Wu, Suqin Xue, Tingting Shao, Fuchun Zhang, Xinghui Liu
Summary: Based on density functional theory, theoretical models of lanthanide rare earth ion-doped α-Bi2MoO6 were constructed (Ln-BMO (Ln=Gd, Ho, Yb)). The influence of doped Ln3+ ions on the structures and properties of the system was analyzed through calculations of geometric structure, electronic structure, and optical properties. The results revealed that the substitution of smaller ionic radius Ln(3+) ions for Bi3+ ions caused a contraction of lattice parameters and improved charge conductivity and charge-separation ability through the formation of Ln-O ionic bond. Ln(3+) ions also introduced optical absorption bands, reducing reflection in the visible region and enhancing photocatalytic activity in the Gd3+-doped system.
Article
Chemistry, Physical
Hong Chen, Cai-Rong Zhang, Zi-Jiang Liu, Ji-Jun Gong, Mei-Ling Zhang, You-Zhi Wu, Yu-Hong Chen, Hong-Shan Chen
Summary: Introducing Rb-dopant in Cs2AgBiBr6 double perovskite stabilizes the material, changes its band gap properties, amplifies optical absorptions, and alters electron and hole effective masses.
CHEMICAL PHYSICS LETTERS
(2021)
Article
Nanoscience & Nanotechnology
Jun Zhao, Xuehu Jin, Can Yao, Hui Zeng
Summary: Using density functional theory, the properties of three O-functionalized beta-phase AsP structures were investigated. The O-functionalized monolayers exhibited anisotropic carrier mobilities and excellent optical absorption properties, making them potentially useful in nanoelectronics and photovoltaics.
Review
Chemistry, Multidisciplinary
Matteo Pitaro, Eelco Kinsa Tekelenburg, Shuyan Shao, Maria Antonietta Loi
Summary: Metal halide perovskites, particularly tin-based compounds, show promise for optoelectronic applications, with lead-based compounds being toxic and harmful to the environment. Although tin-based perovskites offer advantages such as near-optimal bandgap and good charge carrier mobilities, their efficiency is currently limited by low defect tolerance, fast crystallization, and oxidative instability. Efforts are being made to improve tin-based perovskite solar cells, focusing on strategies to enhance device performances and address existing challenges in a concerted manner.
ADVANCED MATERIALS
(2022)
Article
Materials Science, Multidisciplinary
Mohamed Oussama Zouaghi, Youssef Arfaoui, Benoit Champagne
Summary: The electronic and optical properties of metallo-phthalocyanine derivatives were calculated using density functional theory. Results showed that changing the transition metal had little impact on the free energies of primary processes, adding carboxylic functions optimized injection, and adding fused phenyl rings increased light harvesting efficiency.
Article
Materials Science, Multidisciplinary
Jianguang Feng, Qian Guo, Na Song, Haiying Liu, Hongzhou Dong, Yingjie Chen, Liyan Yu, Lifeng Dong
Summary: Heteroatom co-doping is an effective way to tailor electronic structures of graphene quantum dots with synergistic effects and desirable properties. Different N-doping configurations can endow GQDs with a wide spectrum of new optical properties and electronic structures, providing valuable insights for understanding absorption mechanisms and electronic properties of heteroatom co-doped GQDs as well as achieving new applications with well-defined and desired properties.
DIAMOND AND RELATED MATERIALS
(2021)
Article
Chemistry, Physical
Jinlei Wei, Wei Li, Jinghua Pan, Wen Chen, Sicheng Jing, Bin Liao, Baoan Bian, Guoliang Wang
Summary: The electronic and optical properties of vertical delta 6-borophene/MoS2(WSe2) heterojunctions are investigated by density functional theory. It is found that the stacking directions of delta(6)-borophene affect the electronic properties of the heterojunctions, and an external electric field can adjust the Schottky contact type and barrier height. Additionally, stacked heterojunctions expand the range and sensitivity of photoconductivity.
Article
Physics, Multidisciplinary
Razieh Beiranvand, Vahid Mehrabi
Summary: The electronic structure and optical properties of FeSe2 were studied using DFT, revealing that pyrite FeSe2 is a non-magnetic semiconductor while monolayer FeSe2 is metallic with excellent absorption properties. The strong hybridizations between Fe-d and Se-p orbitals play a crucial role in the transitions, with Fe-d orbitals being important in both interband and intraband transitions. Monolayer FeSe2 emerges as an ideal candidate for applications in photovoltaics, optoelectronics, and spintronics.
Article
Chemistry, Physical
Marcelo Assis, Ana C. M. Tello, Fabio S. A. Abud, Pablo Negre, Lara K. Ribeiro, Renan A. P. Ribeiro, Sueli H. Masunaga, Aline E. B. Lima, Geraldo E. Luz Jr, Renato F. Jardim, Alberico B. F. Silva, Juan Andres, Elson Longo
Summary: MnWO4 compounds have attracted significant attention in the research community due to their versatile applications. This study presents a comprehensive investigation of the morphology, optical, electronic, and magnetic properties of monoclinic MnWO4 using experimental, theoretical, and computational approaches. The findings provide valuable insights into understanding and manipulating the optical/electronic/magnetic properties of MnWO4-based materials.
APPLIED SURFACE SCIENCE
(2022)
Article
Chemistry, Physical
Jun-Qi Li, Cai Cheng, Man-Yi Duan
Summary: The electronic and optical properties of 2D Bi2O2X (X = S, Se, Te) were systematically investigated, revealing that the lattice constants and band gaps of H-Bi2O2X and Z-Bi2O2X decrease with increasing number of layers. The number of layers can greatly change the band gap range of H-Bi2O2S, even allowing for an adjustment from blue light energy to infrared light energy. Additionally, the band gaps of different Bi2O2X materials respond differently to the application of compressive and tensile strain.
APPLIED SURFACE SCIENCE
(2023)
Article
Energy & Fuels
Karina Khan, Ushma Ahuja, Amit Soni, Jagrati Sahariya
Summary: This paper presents first principle investigations on the structural and optoelectronic properties of pure, n-type, p-type, and co-doped MgSiP2 chalcopyrite compounds. The results obtained from density functional theory calculations are consistent with previous experimental and theoretical data, confirming the accuracy of the computations. The electronic and optical responses of the compounds were analyzed, showing significant changes in energy band gap and absorption range, especially in the co-doped compound, suggesting their potential for photovoltaic applications.
INTERNATIONAL JOURNAL OF ENERGY RESEARCH
(2022)
Article
Chemistry, Physical
Hansraj Karwasara, K. C. Bhamu, Sung Gu Kang, A. K. Kushwaha, D. P. Rai, Subrahmanyam Sappati, J. Sahariya, Amit Soni
Summary: This study investigates the structural, mechanical, electronic, optical, thermoelectric properties, and spectroscopic limited maximum efficiency (SLME) of oxide double perovskite structure Ba2SbNbO6 and Ba2SbTaO6 compounds using first-principles density functional theory (DFT). The results show that both compounds have potential for applications in photovoltaic and thermoelectric fields, with a calculated SLME of 26.8% for Ba2SbNbO6 indicating it as a promising candidate for single-junction solar cells.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Energy & Fuels
Anupam Agrawal, Shahbaz A. Siddiqui, Amit Soni, Ganesh D. Sharma
Summary: Dye-sensitized solar cells are globally investigated for their low-cost, simple fabrication, flexibility, and suitability for various applications. This paper presents a comprehensive study on the components of DSSC, including MOS, dye, electrolyte, sealing material, and CE, to enhance its performance and provide direction for highly efficient DSSC construction.
Article
Engineering, Electrical & Electronic
Karina Khan, Amit Soni, Ushma Ahuja, Jagrati Sahariya
Summary: This paper investigates the impact of mono and co-doping of Sr/Sn on the electronic, optical, and structural properties of MgGeN2. The potential of pure and doped compounds in optoelectronic applications is explored. It is observed that doping of Sr/Sn reduces the band gap of MgGeN2, and the energy gap decreases with co-doping of Sr and Sn. The optical properties of pure and doped compounds are discussed in terms of their potential for optoelectronic applications.
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING
(2022)
Article
Optics
Aditi Gaur, B. R. Bhagat, Jagrati Sahariya, Amit Soni, Alpa Dashora
Summary: A series of novel, low-cost materials SrSnX2 (X=N, P, Sb, As, Bi) were investigated for their structural, electronic, and optical properties using density functional theory. The results suggest that SrSnN2 has a direct band gap of 1.94 eV, while other materials in the series exhibit a natural intermediate band, increasing absorption in the visible energy region. The effective mass of electrons, effective densities of conduction and valence states of these materials are comparable to typical photovoltaic materials. SrSnBi2 shows promising potential as a candidate for photovoltaics, with a high open-circuit voltage, fill factor, and efficiency under one sun condition. The calculated band-edges indicate their potential as efficient photo-electrocatalysts for water splitting. Overall, the natural intermediate band gap-materials show promise for low-cost and efficient photovoltaic and photoelectrocatalytic applications.
Article
Chemistry, Physical
Mohammed Saquib Khan, Boddepalli SanthiBhushan, Kailash Chandra Bhamu, Sung Gu Kang, Himmat Singh Kushwaha, Atul Sharma, Rajnish Dhiman, Ragini Gupta, Malay Kumar Banerjee, Kanupriya Sachdev
Summary: This study reports a quasi-solid state sodium ion-based asymmetric supercapacitor (ASC) device with nitrogen-doped reduced graphene oxide (NrGO) and boron-doped reduced graphene oxide (BrGO) electrodes. The device shows high specific capacitance, energy density, and capacitance retention, making it a promising option for energy storage applications.
APPLIED SURFACE SCIENCE
(2023)
Article
Chemistry, Physical
K. C. Bhamu, Jin Suk Chung, Sung Gu Kang
Summary: This study investigates the dehydrogenation of liquid organic hydrogen carrier, 1,1,6,6-tetracyclohexylhexane, using various DFT-based approaches. The results show that BN substitution can decrease the dehydrogenation energy and influence the energy barrier for dehydrogenation, indicating a change in the chemical reactivity of LOHC.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2023)
Article
Physics, Multidisciplinary
Karina Khan, Kamal N. Sharma, Amit Soni, Jagrati Sahariya
Summary: A series of Ca-based novel chalcopyrite compounds were investigated for their electronic and optical properties using the full-potential linearized augmented plane wave method with the precise exchange and correlation functional of TB-mBJ. The semiconducting nature of the compounds was revealed by computed energy bands and density of states. The bandgaps of the CaXY2 (X = Ge, Sn; Y = N, P, As) compounds were found to be in the energy range of 1.60-3.74 eV. The frequency dependent optical properties and absorption spectra of these compounds were also studied.
Article
Materials Science, Multidisciplinary
Monika Rani, Kishor Kumar, Sunil Kumawat, Amit Soni, Jagrati Sahariya, Gunjan Arora, B. L. Ahuja
Summary: The electronic structure and momentum densities of three possible phases (α, β, and γ) of LiAlH4, a hydrogen storage material, were investigated using the LCAO scheme within the DFT framework. The computed energy bands and density of states revealed that all three phases possessed wide band gaps ranging from 3.59 to 6.64 eV. Experimental Compton profile measurements were performed on the most stable α-phase and compared with theoretical calculations using different exchange and correlation potentials, showing good agreement with the B3LYP hybrid functional-based CP. The analysis of Mulliken's population and valence electron charge density indicated that the ionic character followed the descending order of γ-phase > α-phase > β-phase. Additionally, the electronic and optical response of LiAlH4 were computed using the mBJ scheme of FP-LAPW method, suggesting its use as an absorptive material for ultraviolet radiations. The bonding nature of the Al-H bond and Li+-[AlH4]? was also elucidated using the electron localization function.
MATERIALS TODAY COMMUNICATIONS
(2023)
Article
Nanoscience & Nanotechnology
Thanh Truong Dang, K. C. Bhamu, Tahereh Mahvelati-Shamsabadi, Thi Kieu Oanh Nguyen, Eun Woo Shin, Koo-Hyun Chung, Seung Hyun Hur, Won Mook Choi, Sung Gu Kang, Jin Suk Chung
Summary: The solvothermal treatment of bulk g-C3N4 in an environmentally sustainable organic solvent resulted in the formation of grid-like structured graphene on g-C3N4, facilitating charge transfer and separation. The grid-like structure also contributed to the formation of a platinum oxide cocatalyst and significantly improved the photocatalytic activity.
ACS APPLIED NANO MATERIALS
(2023)
Article
Physics, Multidisciplinary
Shikha Sharma, Karina Khan, Mamta Soni, Ushma Ahuja, Amit Soni, Jagrati Sahariya
Summary: The effect of Rb and Cs doping on the electronic structure of CuInSe2 chalcopyrite was investigated. Doping with Rb and Cs increased the band gap of CuInSe2, reaching a maximum value of 1.16 eV with 25% Rb doping. The doped compounds exhibited suitable forbidden gaps for optoelectronic and photovoltaic applications. Various optical properties were studied to understand the optical performance of the doped compounds. The density functional theory was used for all investigations. The results showed that Rb and Cs doping enhanced the optoelectronic response of CuInSe2 for its application in photovoltaic and optoelectronic devices.
Article
Physics, Multidisciplinary
Hansraj Karwasara, Karina Khan, Nirajan Pant, Rabin Acharya, Rajendra Adhikari, Shaimaa A. M. Abdelmohsen, Ashraf M. M. Abdelbacki, Amit Soni, Jagrati Sahariya
Summary: The mechanical, electronic, and optical properties of the double perovskite compound Ba2AgIO6 have been studied using density functional theory. The compound's mechanical stability was examined by computing elastic constants, Young's modulus, bulk modulus, and shear modulus. The calculated electronic properties showed that Ba2AgIO6 is a direct band gap semiconductor. The optical properties were analyzed using energy dependent dielectric tensor, absorption, reflection, refraction, and energy loss spectra. The study concluded that Ba2AgIO6 is suitable for various photovoltaic and optoelectronic applications.
Article
Chemistry, Physical
J. Zamora, T. Bautista, N. S. Portillo-Velez, A. Reyes-Montero, H. Pfeiffer, F. Sanchez-Ochoa, H. A. Lara-Garcia
Summary: Experimental and DFT studies were conducted on the structural, magnetic, and optical properties of RFeO3 perovskites. The perovskites exhibited an orthorhombic crystal structure and weak ferromagnetic behavior. They were confirmed to be semiconductors with a bandgap of approximately 2.1 eV.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Xianxiang Lv, Jing Jin, Weiguang Yang
Summary: By depositing TiN and TiO2 surface layers on AlSi films, the electrochemical performance of silicon-based anodes can be significantly improved, suppressing volume expansion and promoting the formation of a stable SEI layer.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Sharafat Ali, Haider Ali, Syedul Hasnain Bakhtiar, Sajjad Ali, Muhammad Zahid, Ahmed Ismail, Pir Muhammad Ismail, Amir Zada, Imran Khan, Huahai Shen, Rizwan Ullah, Habib Khan, Mohamed Bououdina, Xiaoqiang Wu, Fazal Raziq, Liang Qiao
Summary: The construction and optimization of redox-heterojunctions using a bifunctional phosphate as an electron-bridge demonstrated significant improvements in photo catalytic activity, including enhanced dispersion, reduced interfacial migration resistance, and increased abundance of active-sites.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Ren-Ni Luan, Na Xu, Chao-Ran Li, Zhi-Jie Zhang, Yu-Sheng Zhang, Jun Nan, Shu-Tao Wang, Yong-Ming Chai, Bin Dong
Summary: Extensive research has revealed that oxygen evolution reaction (OER) in alkaline conditions involves dynamic surface restructuring. The development and design of sulfide/oxide pre-catalysts can reasonably adjust the composition and structure after surface reconstruction, which is crucial for OER. This study utilized a simple two-step hydrothermal method to achieve in situ S leaching and doping, inducing the composition change and structure reconstruction of CoFe oxides. The transformed FeOOH and CoOOH exhibited excellent OER activity and could be easily mass-produced using low-cost iron based materials and simple methods.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Jun'an Lai, Daofu Wu, Peng He, Kang An, Yijia Wang, Peng Feng, WeiWei Chen, Zixian Wang, Linfeng Guo, Xiaosheng Tang
Summary: Zero-dimensional organic-inorganic metal halides (OMHs) are gaining attention in the fabrication of light-emitting diodes due to their broad emission band and high photoluminescence quantum yield. This work synthesized a zero-dimensional organic tetraphenylphosphonium bismuth chloride (TBC) that showed efficient blue light emission, with the emission mechanism attributed to the transition of Bi3+ ions. White light-emitting diodes (WLEDs) were fabricated using TBC, along with green-emitting and red-emitting single crystals, achieving single-component white emissions. These findings demonstrate the different emission mechanism of ns2 ions-based OMHs and highlight the potential of bismuth-based OMHs in WLEDs applications.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Xuewei Liang, Yunhai Su, Taisen Yang, Zhiyong Dai, Yingdi Wang, Xingping Yong
Summary: The revolutionary design concept of high-entropy alloys has brought new opportunities and challenges to the development of advanced metal materials. In this work, AlCrCuFe2NiTix high-entropy flux cored wires were prepared by combining the design idea of a high-entropy alloy with the characteristics of flux cored wire. AlCr-CuFe2NiTix high-entropy surfacing alloys were prepared using gas metal arc welding technology. The wear properties of the alloys were analyzed, and the phase composition, microstructure, strengthening mechanism, and wear mechanism were discussed. The results show that the alloys exhibit a dendritic microstructure with BCC/B2 + FCC phases. Increasing Ti content leads to the precipitation of Laves phase. The alloys show improved microhardness and wear resistance due to the precipitation of coherent B2 and Laves phases. However, excessive Ti addition results in the increase of Laves phase and reduced wear resistance of the alloys.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
M. Vadivel, M. Senthil Pandian, P. Ramasamy, Qiang Jing, Bo Liu
Summary: This work presents the enhanced photocatalytic and electrochemical performance of g-C3N4 assisted PAA on CoFe2O4 ternary nanocomposites. The incorporation of PAA and g-C3N4 improves the separation efficiency of photogenerated charge carriers, resulting in superior photocatalytic degradation and high specific capacitance values.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Vibhu T. Sivanandan, Ramany Revathy, Arun S. Prasad
Summary: In this study, pure and doped cobalt ferrite nanoparticles were prepared using the sol-gel auto-combustion method with the aid of lemon juice as eco-fuel. The crystal structure, lattice parameter, crystallite size, microstrain, optical parameters, and room temperature magnetic properties of the samples were analyzed. The effect of doping on the magnetic properties was also investigated.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Qing Guo, Bowen Zhang, Benzhe Sun, Yang Qi
Summary: This study prepared ZnO films with various nonpolar preferred orientations using conventional chemical bath deposition method and characterized their growth process and mechanism. It was found that the type and concentration of nitrate could control the preferred orientation and surface roughness of ZnO films. Additionally, ZnO films with different preferred orientations exhibited different optical properties.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Chong Zhang, Yan Liu, Zhaoyan Wang, Hang Yang
Summary: In this study, six bimetallic FeCo particles were synthesized via the hydrothermal method at different Fe:Co ratios. The Fe:Co ratio not only modulates the composition of the particles but also influences their structure and magnetic properties. The FeCo alloys showed a transformation from an Fe-based structure to a Co-based structure with increasing Co content. The Fe:Co ratio of 1:1 and 3:1 resulted in particles with the highest and lowest saturation magnetization, respectively.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Jianning Zhang, Jing Li, Yiren Wang, Xiaodong Mao, Yong Jiang
Summary: We conducted a study on the formation of ultra-fine Y-Ti-Ta-O nano-oxides in Ta+B micro-alloyed 13CrWTi-ODS alloys using electron microscopy and first-principles calculations. The Y-Ti-Ta-O nano-oxides were found to be mainly Y2(Ti,Ta)2O7, with an average size of 7 nm and a number density of 6.8 x 1023 m-3. Excess boron was found to enhance the adhesion of some low-sigma grain boundaries but weaken the Fe/Y2Ti2O7 interface, while excess tantalum enhanced the Fe/Y2Ti2O7 interface but caused serious degradation of grain boundaries.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Yirong Fang, Pei Cheng, Hang Yuan, Hao Zhao, Lishu Zhang
Summary: A new composite system of nitrogen-doped reduced graphene oxide and black phosphorus quantum dots has been developed for tumor therapy, showing improved electrochemical properties and stability. The system generates hydrogen peroxide and hydroxyl radical to effectively kill tumor cells.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Xiufang Qin, Yuanli Ma, Hui Zhang, Ting Zhang, Fang Wang, Xiaohong Xu
Summary: The structure and magnetism of cobalt ferrites after Mn2+-Tb3+ co-doping were studied. Co-doped samples exhibited cubic spinel structure and spherical shape of ferrite nanoparticles. The redistribution of Co2+ and Fe3+ ions between octahedral and tetrahedral sites was observed due to Mn2+-Tb3+ co-doping. The coercivity and magnetization saturation of co-doped samples were significantly improved, leading to a maximum energy product that is 190% higher than that of the un-doped sample.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Ho Yeon Lee, Wonjong Yu, Yoon Ho Lee
Summary: Recently, there has been an increasing interest in developing ultra-fine nanostructured electrodes with extensive reaction areas to enhance the performance and low-temperature operation of solid oxide fuel cells. The use of a refined approach involving co-sputtering metal alloys and oxide targets has demonstrated the feasibility of nano-columnar structures in perovskite-based electrodes, expanding the temperature range of thin film electrodes. This study systematically examines the effects of chamber pressure control in the co-sputtering process and identifies the intricate relationship between sputtering pressure and film structure. By fine-tuning the columnar growth in the electrode, significant improvements in performance and thermo-mechanical properties were achieved, resulting in high-performance all-sputtered solid oxide fuel cells.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
Article
Chemistry, Physical
Qianyun Bai, Xiaoxiao Yan, Da Liu, Kang Xiang, Xin Tu, Yanhui Guo, Renbing Wu
Summary: This study proposes a simple method to develop a non-precious transition metal-based electrocatalyst with high catalytic activity and robustness for the hydrogen evolution reaction. The as-synthesized electrode exhibits a low overpotential and high current density, indicating its potential in energy conversion.
JOURNAL OF ALLOYS AND COMPOUNDS
(2024)
