Article
Chemistry, Multidisciplinary
Youwei Zhang, Xingzhu Chen, Arramel, Kwaw Blankson Augustine, Peng Zhang, Jizhou Jiang, Qi Wu, Neng Li
Summary: The study investigated four types of van der Waals structures using density functional theory calculations, and found that Ti2CO2@MoS2 has the lowest sliding energy barrier. The focus was on the friction behaviors and contributing factors of Ti2CO2@MoS2 interlayer, revealing a positive correlation between friction coefficient and normal force, as well as the intrinsic connection between friction and charge interaction at heterogeneous interfaces.
Article
Physics, Applied
S. Saib, H. Y. Uzunok, Ertugrul Karaca, S. Bagci, H. M. Tutuncu, G. P. Srivastava
Summary: Ab initio pseudopotential calculations were conducted to study the structural, electronic, elastic, mechanical, and electron-phonon interaction properties of molybdenum borocarbide (Mo2BC) and niobium boronitride (Nb2BN) superconductors. It was found that the bonding nature in both compounds is a combination of covalent, ionic, and metallic, with significant differences in electronic states and density of states at the Fermi level. The calculated superconducting transition temperatures were comparable to experimental values for both compounds.
JOURNAL OF APPLIED PHYSICS
(2021)
Article
Multidisciplinary Sciences
Azunna Agwo Eze, Emmanuel Rotimi Sadiku, Williams Kehinde Kupolati, Jacques Snyman, Julius Musyoka Ndambuki, Tamba Jamiru, Mondiu Olayinka Durowoju, Idowu David Ibrahim, Mxolisi Brendon Shongwe, Dawood A. Desai
Summary: This study investigates the effects of using ethanol as a process control agent during wet ball milling of niobium. Nanocrystal Nb powders of high purity were successfully synthesized, showing changes in crystal size and morphology with different milling conditions. Overall, the use of ethanol as a process control agent in wet ball milling has a significant impact on the final particle size and crystal structure of the niobium powder.
SCIENTIFIC REPORTS
(2021)
Review
Chemistry, Analytical
Aneesh Koyappayil, Sachin Ganpat Chavan, Yun-Gil Roh, Min-Ho Lee
Summary: MXenes, a new family of 2D transition metal carbides and nitrides, have gained significant attention in the past decade for their exceptional properties and potential applications in biomedicine. They show outstanding electrical, mechanical, optical, and tunable functionalities, making them attractive materials for drug delivery, antimicrobial applications, and photothermal therapy.
Article
Chemistry, Multidisciplinary
Andreas Rosenkranz, Maria Clelia Righi, Anirudha V. V. Sumant, Babak Anasori, Vadym N. N. Mochalin
Summary: The large and rapidly growing family of 2D early transition metal carbides, nitrides, and carbonitrides (MXenes) has attracted significant interest in the materials science and chemistry communities. MXenes have demonstrated outstanding potential in various applications and their research on friction and wear performance is rapidly growing. In this perspective, the most promising results in MXene tribology are summarized, future important problems are outlined, and methodological recommendations are provided.
ADVANCED MATERIALS
(2023)
Review
Chemistry, Multidisciplinary
Yixuan Fan, Lin Li, Ye Zhang, Xiaotao Zhang, Dechao Geng, Wenping Hu
Summary: This review comprehensively presents recent advances in the growth of MXenes crystals by chemical vapor deposition (CVD) method. Different methods for precise control of the size, morphology, and thickness of MXenes crystals are demonstrated. The properties and applications of MXenes crystals, particularly in superconductivity and electrochemical catalysis, are exhibited.
ADVANCED FUNCTIONAL MATERIALS
(2022)
Review
Chemistry, Physical
Peirong Chen, Jianshan Ye, Hui Wang, Liuzhang Ouyang, Min Zhu
Summary: This review outlines the potential application of hydrogen energy and the performance of transition metal carbides and nitrides in electrocatalytic water splitting. The focus is on different modification methods and remaining challenges in the field.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Chemistry, Multidisciplinary
Hui Li, Anping Li, Dandan Zhang, Qianpeng Wu, Peng Mao, Yixuan Qiu, Zhiguo Zhao, Pengfei Yu, Xinghua Su, Min Bai
Summary: The effect of surface functional groups on the structural, electronic, and lithium storage properties of Ti3C2T2 MXenes was investigated using first-principles calculations. The results show that the proximity of surface functional groups induces lattice distortion and has a significant impact on the valence band. In terms of lithium storage, functionalized Ti3C2T2 has different adsorption positions for lithium atoms, resulting in different storage capacities.
Article
Chemistry, Physical
Wojciech Olszewski, Carlo Marini, Satoshi Kajiyama, Masashi Okubo, Atsuo Yamada, Takashi Mizokawa, Naurang Lal Saini, Laura Simonelli
Summary: The local structures of Ti based MXene-type electrode materials were investigated using Ti K-edge X-ray absorption fine structure measurements. The effects of temperature on the local bond lengths and their stiffness were studied. Selective etching was found to significantly affect the local structural properties of Ti based MXene materials, resulting in increased interatomic distances and higher achievable performances. These results highlight the importance of local atomic correlations as limiting factors in the diffusion capacity of ion batteries.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Kyle Matthews, Teng Zhang, Christopher E. Shuck, Armin VahidMohammadi, Yury Gogotsi
Summary: This paper reports on the mild synthesis and improved shelf life of Vanadium carbide MXene V2CTx, with ion exchange and flocculation processes allowing for its suspension in water for several months without degradation. The electronic and optical properties of the MXene have shown significant improvements, expanding its potential applications and allowing for fundamental studies of its properties.
CHEMISTRY OF MATERIALS
(2022)
Article
Materials Science, Ceramics
Lei Chen, Junlian Xu, Meiguang Zhang, Taotao Rong, Zhenyi Jiang, Peifang Li
Summary: Transition-metal aluminium nitrides, widely used as protective coatings, have been found to exhibit superior mechanical properties in the hexagonal phase V0.5Al0.5N compared to the metastable cubic phase. The mechanical enhancement is attributed to the metallic-to-semiconductor transition and the strengthening of bonds between metal elements and N atoms in the hexagonal phase.
CERAMICS INTERNATIONAL
(2021)
Review
Chemistry, Physical
D. Barani Kumar, Wei Nie, Zhongqing Jiang, Jinwoo Lee, T. Maiyalagan
Summary: Zinc air batteries (ZABs) are promising energy storage and conversion devices with high theoretical energy density and low cost. However, the sluggish kinetics of oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) hinders their maximum efficiency. Transition metal carbides (TMCs) and nitrides (TMNs) have been investigated as catalysts for ZABs due to their higher catalytic activity, lower costs, and better stability. This review focuses on the application of various TMCs and TMNs in ZABs and discusses the challenges associated with their development, as well as potential technical solutions.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Materials Science, Multidisciplinary
S. Huang, K. C. Mutyala, A. Sumant, V. N. Mochalin
Summary: Two-dimensional MXenes materials exhibit unique friction and antiwear properties, achieving superlubricity. Research shows that Ti3C2 MXene has a low friction coefficient in a dry nitrogen environment, and adding graphene further reduces friction and wear.
MATERIALS TODAY ADVANCES
(2021)
Article
Chemistry, Multidisciplinary
S. R. Kandel, B. B. Dumre, D. Gall, S. V. Khare
Summary: We have studied the properties of 29 transition metal nitrides using density functional theory calculations. Only 5 compounds were found to be both vibrationally and mechanically stable, with CrN6 having the highest Vickers hardness. The hardness is directly proportional to mass density and inversely proportional to M-M and M-N bond lengths. The band structure analysis showed that all stable compounds except HgN6 are metallic in nature. Magnetic properties were found in only 8 compounds.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
(2022)
Article
Materials Science, Multidisciplinary
Laura I. Holz, Vanessa C. D. Graca, Francisco J. A. Loureiro, Sergey M. Mikhalev, Diogo Mendes, Adelio Mendes, Duncan P. Fagg
Summary: Transition metal (oxy)nitrides are attractive materials with notable catalytic and electronic properties. This study investigates the effect of ammonolysis temperature on the composition and physical properties of vanadium (oxy)nitrides. It shows that by controlling the ammonolysis temperature, the composition of the anionic sublattice can be adjusted, which in turn impacts the resultant properties of the materials for potential applications.
JOURNAL OF MATERIALS CHEMISTRY C
(2022)
Article
Chemistry, Physical
Shang Zhai, Joonhyun Nam, Gopalakrishnan Sai Gautam, Kipil Lim, Jimmy Rojas, Michael F. Toney, Emily A. Carter, In-Ho Jung, William C. Chueh, Arun Majumdar
Summary: This study analyzes the thermodynamic driving forces in thermochemical looping water/CO2 splitting cycles and reveals the critical factors influencing the splitting capacity. The phase diagram analysis accurately predicts the optimal conditions, providing guidance for future materials improvements.
JOURNAL OF MATERIALS CHEMISTRY A
(2022)
Article
Chemistry, Physical
Vishakha Kapoor, Baltej Singh, Gopalakrishnan Sai Gautam, Anthony K. Cheetham, Pieremanuele Canepa
Summary: In this research, the effect of changing polyanion groups on the redox voltages and the gravimetric capacities of polyanion electrodes was investigated using first-principles calculations. The results showed that the activation of the VV/IV redox couple and the increase in average Na intercalation voltage can be achieved by substituting a small amount of SiO44- in the polyanion groups. On the other hand, substituting with SO42- increased the voltage of each V redox couple but decreased the maximum amount of Na+ intercalated. Exploiting the varying inductive effects of different polyanion groups can effectively tune the energy density of NaSICON electrode materials.
CHEMISTRY OF MATERIALS
(2022)
Article
Materials Science, Ceramics
Pradhyun Veerapanaicker Soundaraj, Santhosh Sivan Sembulingam, Ganesh Babu Thiyagarajan, Niraja Moharana, K. C. Hari Kumar, Ravi Kumar
Summary: The ablation behavior of SiOC ceramic foams derived from poly(hydridomethylsiloxane) was evaluated under oxy-acetylene flame at 1500 degrees C. Results showed that closed porous structured SiOC ceramic foams exhibited lower mass ablation rate compared to open porous structured ones, making them a potential thermal protection material for high temperature applications. Feasibility of foam reduction reactions was further investigated through computational analysis, highlighting the importance of tailored microporous structured SiOC ceramic foams.
JOURNAL OF THE EUROPEAN CERAMIC SOCIETY
(2022)
Review
Materials Science, Multidisciplinary
Debolina Deb, Gopalakrishnan Sai Gautam
Summary: Na-ion batteries (NIBs) are a significant alternative to Li-ion batteries (LIBs) for energy storage systems. Polyanion frameworks have been investigated as NIB cathodes.
JOURNAL OF MATERIALS RESEARCH
(2022)
Article
Chemistry, Physical
Reshma Devi, Baltej Singh, Pieremanuele Canepa, Gopalakrishnan Sai Gautam
Summary: This study evaluates the accuracy and computational performance of different methods in predicting ion migration barriers. It finds that the SCAN method is more accurate but computationally more expensive, while the GGA method is a feasible choice for quick and qualitative predictions. The study also investigates the sensitivity of the migration barriers to different factors.
NPJ COMPUTATIONAL MATERIALS
(2022)
Review
Chemistry, Multidisciplinary
Constantine Tsounis, Priyank Kumar, Hassan Masood, Rutvij Pankaj Kulkarni, Gopalakrishnan Sai Gautam, Christoph R. Mueller, Rose Amal, Denis A. Kuznetsov
Summary: MXenes, with their tailorable chemistry and favorable physical properties, have great potential in electrocatalytic energy conversion reactions. Further advances specific to electrocatalysis are required to fully exploit their potential. This review discusses the recent advances in performance, stability, compositional discovery and synthesis of MXenes, as well as their prospects in large scale synthesis and solution processing techniques.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Physical
Dereje Bekele Tekliye, Ankit Kumar, Xie Weihang, Thelakkattu Devassy Mercy, Pieremanuele Canepa, Gopalakrishnan Sai Gautam
Summary: This study used first-principles calculations to screen sodium superionic conductor (NaSICON) frameworks as potential calcium cathode materials. CaxV2(PO4)3, CaxMn2(SO4)3, and CaxFe2(SO4)3 Ca-NaSICONs were found to be promising, while all silicate Ca-NaSICONs were deemed unsuitable. The research contributes to the development of practical calcium-ion batteries involving polyanionic intercalation frameworks.
CHEMISTRY OF MATERIALS
(2022)
Article
Chemistry, Physical
Gowra Raghupathy Dillip, Gundegowda Kalligowdanadoddi Kiran, Abhishek Bharti, Tanmay Mohan Bhagwat, Gopalakrishnan Sai Gautam, Aninda J. Bhattacharyya
Summary: The study demonstrates that porous nanostructured nonstoichiometric zinc cobaltite (ZnCo2O4-ZCO) prepared with a specific heat treatment protocol is an efficient bifunctional oxygen catalyst, providing superior electrocatalytic activity towards oxygen reduction and evolution reactions. The ZCO samples annealed under air and vacuum show outstanding electrocatalytic activity surpassing the prevalent standards, and exhibit long-term stability crucial for practical applications.
ACS APPLIED ENERGY MATERIALS
(2022)
Article
Chemistry, Physical
S. Swathilakshmi, Reshma Devi, Gopalakrishnan Sai Gautam
Summary: In this study, we evaluated the accuracy and computational efficiency of the recently developed metaGGA functional r(2)SCAN in transition metal oxide systems and compared it with SCAN. We assessed various properties of binary 3d TMOs calculated by r(2)SCAN, including oxidation enthalpies, lattice parameters, magnetic moments, and band gaps, and compared them with SCAN calculations and experimental values. Our results showed that including the U-correction with r(2)SCAN improved the description of TMOs' ground state properties with better computational efficiency than SCAN. The overall computational time required for r(2)SCAN(+U) was lower than SCAN(+U).
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
(2023)
Article
Materials Science, Multidisciplinary
Ziliang Wang, Tara P. Mishra, Weihang Xie, Zeyu Deng, Gopalakrishnan Sai Gautam, Anthony K. Cheetham, Pieremanuele Canepa
Summary: The development of high-performance sodium ion batteries requires improved electrode materials. The energy and power densities of NaSICON electrode materials show promise for large-scale energy storage applications. However, practical issues such as limited sodium extraction in low Na content NaSICONs present a challenge. Therefore, it is important to quantify the Na-ion mobility in a wide range of NaSICON electrodes.
ACS MATERIALS LETTERS
(2023)
Article
Chemistry, Multidisciplinary
Robert B. Wexler, Gopalakrishnan Sai Gautam, Robert T. Bell, Sarah Shulda, Nicholas A. Strange, Jamie A. Trindell, Joshua D. Sugar, Eli Nygren, Sami Sainio, Anthony H. McDaniel, David Ginley, Emily A. Carter, Ellen B. Stechel
Summary: This study demonstrates the synthesis of the perovskite Ca2/3Ce1/3Ti1/3Mn2/3O3, which has high phase purity, stability, and desirable redox thermodynamics for solar thermochemical H2 production (STCH) with a predicted average neutral oxygen vacancy formation energy of 3.30 eV. Experimental results indicate that this material has comparable or greater H2 production capacity than other promising metal oxide perovskites. Quantum-based modeling reveals that Ce4+ reduction dominates the redox activity of Ca2/3Ce1/3Ti1/3Mn2/3O3, and X-ray absorption spectroscopy measurements confirm reversible Ce4+ to Ce3+ reduction. The refinement of Ce stoichiometry has the potential to further enhance the performance of this material.
ENERGY & ENVIRONMENTAL SCIENCE
(2023)
Article
Chemistry, Physical
Biplab Patra, Keshav Kumar, Debolina Deb, Subham Ghosh, Gopalakrishnan Sai Gautam, Premkumar Senguttuvan
Summary: Researchers have discovered a high-capacity multi-redox empty NASICON-Nb-2(PO4)(3) as a potential anode material for lithium-ion batteries (LIBs) and sodium-ion batteries (SIBs), which can reversibly deliver 167 and 150 mA h g(-1) at average voltages of 1.86 V vs. Li+/Li-0 and 1.46 V vs. Na+/Na-0, respectively. In situ X-ray diffraction studies reveal that the intercalation reactions of Li and Na proceed via multiple phase transitions, forming short-range ordered Li3Nb2(PO4)(3) and triclinic (P1) Na3Nb2(PO4)(3). Density functional theory calculations and X-ray absorption spectroscopy confirm the stable composition of Na3Nb2(PO4)(3) and the participation of multi-redox Nb5+/Nb4+/Nb3+ couples. Nb-2(PO4)(3) anode exhibits capacities greater than 124 and 106 mA h g(-1) in Li and Na cells at 1C rate, respectively. Pairing Nb-2(PO4)(3) with suitable cathodes and electrolytes can lead to high energy density batteries.
JOURNAL OF MATERIALS CHEMISTRY A
(2023)
Article
Chemistry, Physical
Jayant Kumar, Gopalakrishnan Sai Gautam
Summary: In order to achieve sustainable energy usage, the development of photovoltaic materials with better solar-to-electricity conversion efficiencies, optimal band gaps, and non-toxic, earth abundant elements is crucial. This study explores the non-redox-active pnictide chemical space as potential beyond-Si photovoltaics using density functional theory calculations. Promising candidates such as SrZn2N2, SrZn2P2, and CaZn2P2 with optimal band gaps, stability, and high resistance to point defects have been identified. The practical development of pnictide semiconductors as beyond-silicon light absorbers is expected to benefit from this study.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Pawan Kumar Jha, Shashwat Singh, Mayank Shrivastava, Prabeer Barpanda, Gopalakrishnan Sai Gautam
Summary: This study investigates the mechanism of cationic and/or anionic redox in high-voltage polyanionic cathode materials for Li-ion batteries. The findings reveal different redox processes in different materials and suggest new avenues for research.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Chemistry, Physical
Juefan Wang, Abhishek A. Panchal, Gopalakrishnan Sai Gautam, Pieremanuele Canepa
Summary: The electrolyte is a crucial component of lithium-ion batteries and sodium-ion batteries. Solid electrolytes and all-solid-state batteries have been developed to overcome the issues associated with the use of Li or Na metal as anode in liquid electrolyte batteries. However, the stability and ion transport properties at the interfaces between the solid electrolyte decomposition products and the metal anode have not been fully understood. In this study, first-principles calculations and machine learning simulations are used to investigate the stability and ion transport properties of different solid||solid interfaces formed between solid electrolyte decomposition products and Li or Na metal anode.
JOURNAL OF MATERIALS CHEMISTRY A
(2022)
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)
