Article
Materials Science, Multidisciplinary
Yiyang Li, Yonghua Duan, Mingjun Peng, Shanju Zheng
Summary: In this research, first-principles calculations were used to predict the structural electronic, elastic, and thermal properties of TM5Si3C (TM = Ti, Cr, Y) carbides. The results showed that Ti5Si3C, Cr5Si3C, and Y5Si3C are thermodynamically, dynamically, and mechanically stable. Ti5Si3C was found to be brittle, while Cr5Si3C and Y5Si3C were ductile. The anisotropy of elastic modulus and thermal conductivity was highest in Y5Si3C.
Article
Physics, Condensed Matter
Yang Gao, Shu-Ming Chen, Shuo Cao, Shang-Zhou Zhang, Philippe Djemia, Qing-Miao Hu
Summary: This study investigates the phase stability, elastic modulus, and hardness of ternary nitride Ti1-xAlxN. It is found that the hardness increases with the Al content x. The cubic B1 structure is more stable for x < about 0.75, while the hexagonal structure (B4) is more stable for x > about 0.75. The composition dependent hardness and phase decomposition contribute to the convex shaped hardness curve of Ti1-xAlxN.
PHYSICA B-CONDENSED MATTER
(2024)
Article
Materials Science, Multidisciplinary
Jiasheng Ji, Hengyong Bu, Yonghua Duan, Mingjun Peng, Huarong Qi, Xiaoqi Wang, Li Shen
Summary: In this study, the structural, electrical, elastic, and thermal properties of TM5Si3N (TM = V, Nb, and Ta) Nowotny phase were investigated using first-principles calculations. The results indicate that TM5Si3N Nowotny phases are dynamically and thermodynamically stable. The TM5Si3N compound forms strong TM-Si and TM-N bonds due to the hybridization between TM-d state and Si-p and N-p states. The elastic modulus and thermal conductivity of TM5Si3N were found to be anisotropic with different magnitudes for different elements.
Article
Materials Science, Multidisciplinary
ShunRu Zhang, ZhiJian Zhu, HaiJun Hou, LinHua Xie
Summary: In this study, the anisotropic elastic and thermal properties of C40-, C49-, and C54-TiGe2, Ti5Ge3, and Ti6Ge5 were calculated using first-principles calculations. The elastic properties were obtained using the VoigtReuss-Hill method, and the Vickers hardness was calculated based on the obtained elastic modulus. The elastic anisotropy was characterized using elastic anisotropic indexes, three-dimensional constructions, and projections of bulk and Young's moduli. Additionally, the Debye temperature and sound velocity were calculated, and directional sound velocities were also analyzed.
Article
Materials Science, Multidisciplinary
Xin Tianyuan, Chen Xuanyu, Zhang Wei, Zhang Weiwei, Qin Jiantao, Wu Lu, Pan Rongjian
Summary: The effects of point defects and Nb-doping on the mechanical properties of alpha-Zr were studied using density functional theory and first principles method. Vacancy increases the shear modulus while Nb-doping decreases it, weakening the anisotropy of the structure. This study suggests that single point defects can help alleviate the degradation of irradiation properties of zirconium alloys.
RARE METAL MATERIALS AND ENGINEERING
(2021)
Article
Chemistry, Physical
Wei Yu, Yunxuan Zhou, Xiaoyu Chong, Yan Wei, Changyi Hu, Aimin Zhang, Jing Feng
Summary: By using first principles calculations and density functional theory, this study investigated the effect of 33 alloying elements on the ductility of dilute Ir-based alloys, finding that most alloying elements are difficult to dissolve in the Ir matrix. A composition-dependent elastic properties model for Ir-X binary alloys was constructed, which can describe the properties of Ir-based multicomponent alloys.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Thermodynamics
Mingfeng Liu, Lei Wang, Jiantao Wang, Heyu Zhu, Hui Ma, Yan Wei, Aimin Zhang, Li Chen, Peitao Liu, Xing-Qiu Chen
Summary: We studied the properties of Pd-Nb binary systems using first-principles density functional theory calculations. We predicted several new ground-state and metastable phases and found that they are dynamically and mechanically stable. The elastic properties of the compounds were also investigated, showing variations with respect to Nb concentrations. The electronic structure calculations revealed that all compounds are metallic. Our study provides a comprehensive understanding of Pd-Nb systems and potential candidates for Pd-based electrocatalysts.
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY
(2022)
Article
Biochemistry & Molecular Biology
Yinlong Hou, Kai Ren, Yu Wei, Dan Yang, Zhen Cui, Ke Wang
Summary: In this study, the mechanical properties and anisotropy of an orthorhombic SiP2 monolayer were investigated using first-principles calculations. The results showed that the monolayer exhibits high in-plane anisotropy in terms of Young's modulus and Poisson's ratio. The interatomic force constants were found to be the main origin of this anisotropy. Additionally, negative Poisson's ratios were observed in certain orientations, suggesting potential applications in nanomechanics and nanoelectronics.
Article
Chemistry, Multidisciplinary
Pricila Betbirai Romero-Vazquez, Sinhue Lopez-Moreno, Daniel Errandonea
Summary: This study investigates the electronic, elastic, mechanical, and vibrational properties of tetragonal scheelite-type ATcO4 compounds using first-principles calculations. The results show that all compounds are elastic and dynamically stable. The properties of alkali-metal pertechnetates exhibit a linear trend with ionic radius. The increasing ionic radius leads to enhanced elastic anisotropy. TlTcO4 and AgTcO4 deviate slightly and significantly, respectively, from the observed linear trend in alkali-metal pertechnetates. The ATcO4 compounds are among the most compressible ABO4 ternary oxides.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
(2022)
Article
Biochemistry & Molecular Biology
Yi-Yu Su, Xue-Chen Liu, Wen-Xuan Zhou, Yu Ao, Dai-He Fan, Bin Tang, Dan Hong, Qi-Jun Liu
Summary: In this study, the effects of transition metal elements on the physical properties of Ti-Al-based compounds were investigated using first-principles calculations. The results showed the mechanical stability of the compounds and observed their anisotropic behavior and electronic properties.
JOURNAL OF MOLECULAR MODELING
(2022)
Article
Materials Science, Multidisciplinary
Yingying Chen, Enci Zuo, Xilong Dou, Li Chen, Gang Jiang, Aijie Mao
Summary: In this study, the crystal structures, mechanical properties, anisotropic properties, and lattice thermal conductivities of Mg-Bi alloys were investigated using particle swarm optimization structure prediction method and first-principles calculations. The results predicted a novel stable stoichiometry of Mg4Bi in addition to the well-known stoichiometry of Mg3Bi2, as well as several metastable stoichiometries. The Mg-Bi alloys exhibited ductility and obvious anisotropic characters. Furthermore, the minimum lattice thermal conductivities of MgBi and Mg2Bi were found to be smaller than that of Mg3Bi2, and the adsorption of O atom on the Mg3Bi (001) surface was more sensitive than on other surfaces.
Article
Crystallography
Longpeng Zhu, Jiong Wang, Chenchen Dong, Yong Du, Shun-Li Shang, Zi-Kui Liu
Summary: The influence of N atoms ordering in Ta2N compounds on their properties was investigated using first-principles calculations. Ta2N-II showed energetically favorable stability, stronger covalent bonding, higher resistance to deformation, and lower anisotropy compared to Ta2N-I.
Article
Materials Science, Multidisciplinary
Zhihao Huang, Hanxige Chen, Songbo Ye, Guotan Liu, Han Chen, Yudong Fu, Yibo Sun, Mufu Yan
Summary: Based on first principles calculations and artificial neural networks (ANN) model, a potential region of interest in the compositional map has been discovered with a small dataset containing merely 85 data. The results obtained by the first principles calculations and machine learning (ML) approaches are extremely close, suggesting high predictive accuracy and good feature validity of the well-trained ANN model. The valence electron concentration, niobium content, and average bulk modulus are strongly correlated with the elastic properties of Nb-Ti-Zr random solid solution.
MATERIALS CHEMISTRY AND PHYSICS
(2023)
Article
Chemistry, Physical
Maggie Kingsland, P. S. Ghosh, S. Lisenkov, I Ponomareva
Summary: Inverse-hybrid perovskites with large polarization have been predicted using first-principles computations. A route to predicting structural and electrical properties, such as polarization, polarization reversibility, and coercive field, has been proposed for hybrid organic-inorganic perovskites. Experimental measurements were modeled to identify competing structural variations.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Article
Materials Science, Multidisciplinary
He Ma, Xudong Zhang, Feng Wang
Summary: By using first-principles calculations, the influence of five possible structures of TaSi2 on lattice vibration, mechanical, electronic, and thermal properties was investigated. Among them, the I4/mmm-type structure showed the highest hardness, while the P6222-type structure was identified as a potential isotropic material. The thermal behaviors of Cmcm-type and FdddZ-type structures were found to be similar, exhibiting nearly coincident thermal curves.
Article
Energy & Fuels
Yong Pan
Summary: The influence of vacancies on the electronic and optical properties of alpha-Ga2O3 semiconductor was studied using first-principles calculations. The results demonstrated that vacancies have a significant impact on the band gap and optical properties of alpha-Ga2O3.
INTERNATIONAL JOURNAL OF ENERGY RESEARCH
(2022)
Article
Materials Science, Multidisciplinary
Delin Pu, Yong Pan
Summary: Transition metal silicides are promising advanced functional materials, and the addition of carbon element can improve their overall properties. Four novel TM5SiC2 ternary silicides were predicted, which exhibit better elastic and ductile behavior compared to TM5Si3.
Article
Energy & Fuels
Yong Pan, Ende Yu
Summary: In this study, the structural, optical, and electronic properties of AlH3 hydride were investigated using the first-principles method. The results reveal that the rhombohedral structure of AlH3 is highly stable, with a band gap of 2.170 eV. Additionally, AlH3 exhibits semiconductor properties and ultraviolet response.
INTERNATIONAL JOURNAL OF ENERGY RESEARCH
(2022)
Article
Chemistry, Physical
Yong Pan, Ende Yu
Summary: Vanadium hydrides have better hydrogen storage capacity, with cubic VH2 hydride showing stability and tetragonal and orthorhombic VH2 hydrides exhibiting metallic behavior beneficial for hydrogen storage.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2022)
Article
Engineering, Electrical & Electronic
Yong Pan
Summary: This study investigates the effect of four noble metals (Ag, Au, Ir and Pt) on the electronic and optical properties of GaN using first-principles calculations. It is found that Ir-doped GaN exhibits better stability compared to other noble metal doping. The addition of noble metals leads to lattice and volume expansion of GaN, affecting its band gap. Furthermore, the study demonstrates the ultraviolet properties of GaN and the migration of absorption coefficient induced by the noble metals.
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING
(2022)
Article
Chemistry, Physical
Ende Yu, Yong Pan
Summary: This study investigates the structural features and hydrogenation mechanisms of Li4BN3H10 and Rh4BN3H10 alkali metal hydrides using first-principles calculations. The results show that Li4BN3H10 and Rh4BN3H10 are thermodynamically and dynamically stable. The hydrogen storage mechanism of AM4BN3H10 hydride relies on the formation of [BH4] and [NH2] groups. The hybridization between B and H atoms in [BH4] and N and H atoms in [NH2] enables efficient hydrogen storage. Rb4BN3H10 exhibits better hydrogen release properties compared to Li4BN3H10 and Na4BN3H10 due to its narrower band gap. Overall, AM4BN3H10 hydride is a promising hydrogen storage material with high capacity.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2023)
Article
Chemistry, Multidisciplinary
Yong Pan
Summary: We studied the effects of alloying elements (Cu, Ag, and Au) on the electronic and optical properties of α-Ga2O3 and found that Cu-doped α-Ga2O3 is more stable compared to Ag and Au doped α-Ga2O3. The alloying elements can expand the volume and lattice of α-Ga2O3 due to differences in valence electronic density. We demonstrated the ultraviolet properties of α-Ga2O3, but adding alloying elements shifts the band gap from the ultraviolet to visible light region and improves the storage optical properties of Ga2O3.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
(2023)
Article
Materials Science, Multidisciplinary
Yong Pan, Xianju Zhang
Summary: Al5W compound is a promising high-temperature material with high melting point, good mechanical properties, and corrosion resistance. First-principles calculations were applied to study its structural stability, elastic properties, elastic anisotropy, and melting point. Two novel Al5W phases (orthorhombic and rhombohedral structures) were predicted, with hexagonal Al5W showing the best thermodynamic stability.
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T
(2023)
Article
Chemistry, Physical
Yong Pan, Jiaxin Zhu
Summary: This study investigates the phase stability, mechanical and thermodynamic properties of Ti-V solid solutions using the DFT method. The results show that V(Ti) (ss) solid solution exhibits higher mechanical stability and better ductility, which is attributed to the localized hybridization between Ti(3d) and V(3d) in the Ti-V metallic bond.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
(2023)
Article
Materials Science, Multidisciplinary
Yong Pan
Summary: This study applies the first-principle method to investigate the structural stability, mechanical and thermodynamic properties of FeCrAl ternary alloy. The results show that the orthorhombic phase of FeCrAl exhibits better thermodynamic stability and higher elastic stiffness, indicating stronger volume deformation resistance.
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T
(2023)
Article
Materials Science, Multidisciplinary
Yong Pan
Summary: This study investigates the influence of refractory metals on the mechanical and thermodynamic properties of ZrAl2 high-temperature alloy through first-principles calculations. The results show that refractory metal doping enhances the stability and bulk modulus of ZrAl2, with the highest improvement observed in W-doped ZrAl2. Additionally, the refractory metals improve the isotropy and increase the melting point and Debye temperature of ZrAl2. The study concludes that W is an effective metal for improving the overall properties of ZrAl2 high-temperature alloy.
MATERIALS TODAY COMMUNICATIONS
(2023)
Article
Materials Science, Multidisciplinary
Yong Pan
Summary: This study investigates the oxidation behavior of Fe2CrAl ternary alloy using first-principles method, with a focus on the influence of vacancies. The results show that the Cr vacancy has the strongest effect on oxidation resistance, enhancing the localized hybridization between O and Al atoms and forming Al2O3 oxide.
MATERIALS TODAY COMMUNICATIONS
(2023)
Article
Materials Science, Multidisciplinary
Yong Pan
Summary: Mo3Al2C MAX phase is a promising high temperature ceramics with high temperature strength and excellent oxidation resistance. This study investigates the structural stability, mechanical and thermodynamic properties of TM3Al2C MAX phase using first-principles method.
MATERIALS TODAY COMMUNICATIONS
(2023)
Article
Chemistry, Physical
Yong Pan
Summary: The structural configuration, hardness and bonding state of TiB4 tetraborides were studied using the first-principles method. A stable orthorhombic (Cmcm) TiB4 with a potential to be a superhard material was predicted based on the calculated lattice parameters and bond strength.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Ende Yu, Yong Pan
Summary: By constructing borophene/MoS2 heterojunctions, the catalytic performance in the hydrogen evolution reaction is improved with lower hydrogen adsorption energy, better exchange current, and overpotential. It also exhibits intense photoresponse in the ultraviolet light range and has potential in photocatalysis.
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)
