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1.
《International Journal of Hydrogen Energy》2022,47(45):19718-19731
Metals and alloys forming reversible hydrides with hydrogen gas are potential building blocks for compact, solid state hydrogen storage systems. Based on the materials’ thermodynamic characteristics, their use as temperature-swing gas compression and delivery systems in the hydrogen economy is also possible. Given the wide variety of materials developed and tested at laboratory and pilot scales, a harmonized method of selecting the feasible material(s) for a particular real-life application is required. This study proposes a system selection framework based on a normalized, multi-criteria metric. Using calculated values of multi-criteria metric, multi-criteria screening and ranking of potential materials has been demonstrated for a particular use case. It is found that the alloy TiMn1.52 having value of additive metric between 0.25 and 0.35 represents the best material for a single stage system. The alloy pair CaNi5–Ti1.5CrMn represents the best alternative for a two-stage system with additive metric values between 0.63 and 0.82. Energy and economic characteristics of the metal hydride gas compression and delivery systems are evaluated and compared with an equivalent mechanical compression system producing the same final effect (i.e., delivery of a given quantity of gas at a defined pressure). 相似文献
2.
《International Journal of Hydrogen Energy》2022,47(64):27608-27616
The vanadium hydrides have better hydrogen storage capacity in comparison to the other metal hydrides. Although the structure of VH2 hydride has been reported, the structural stability, electronic and optical properties of VH2 hydride are unclear. To solve these problems, we apply the first-principles method to study the structural stability, electronic and optical properties of VH2 hydrides. Similar to the metal dihydrides, four possible VH2 hydrides such as the cubic (Fm-3m), tetragonal (I4/mmm), tetragonal (P42/mnm) and orthorhombic (Pnma) are designed. The result shows that the cubic VH2 hydride is a thermodynamic and dynamical stability. In particular, the tetragonal (I4/mmm) and the orthorhombic (Pnma) VH2 hydrides are firstly predicted. It is found that these VH2 hydrides show metallic behavior. The electronic interaction of V (d-state)-H (s-state) is beneficial to improve the hydrogen storage in VH2 hydride. In addition, the formation of V–H bond can improve the structural stability of VH2 hydride. Based on the analysis of optical properties, it is found that all VH2 hydrides show the ultraviolet response. Compared to the tetragonal and orthorhombic VH2 hydrides, the cubic VH2 hydride has better storage optical properties. Therefore, we believe that the VH2 hydride is a promising hydrogen storage material. 相似文献
3.
《International Journal of Hydrogen Energy》2022,47(77):32928-32939
The development of efficient and stable electrocatalysts is of great significance for improving water splitting. Among them, transition metal oxyhydroxides show excellent performance in oxygen evolution reactions (OER), but there are certain difficulties in direct preparation. Recently, Metal–organic frameworks (MOFs) as precatalysts or precursors have shown promising catalytic performance in OER and can be decomposed under alkaline conditions. Therefore, using a mild and controllable way to convert MOFs into oxyhydroxides and retaining the original structural advantages is crucial for improving the catalytic activity. Herein, a rapid electrochemical strategy is used to activate well-mixed MOFs to prepare Co/Ni oxyhydroxide nanosheets for efficient OER catalysts, and the structural transformation in this process was investigated in detail by using scanning electron microscope, X-ray diffraction, Raman, X-ray photoelectron spectroscopy and electrochemical methods. It is discovered that electrochemical activation can promote ligand substitution of well-mixed MOFs to form porous oxyhydroxide nanosheets and tune the electronic structure of the metal (Co and Ni), which can lead to more active site exposure and accelerate charge transfer. In addition, the change of structure also improves hydrophilicity, as well as benefiting from the strong synergistic effect between multiple species, the optimal a-MCoNi–MOF/NF has excellent OER performance and long-term stability. More obviously, the porous CoNiOOH nanosheets are formed in situ during electrochemical activation process through structural transformation and acts as the active centers. This work provides new insights for mild synthesis of MOFs derivatives and also provides ideas for the preparation of highly efficient catalysts. 相似文献
4.
《International Journal of Hydrogen Energy》2022,47(11):7242-7251
In the present study, metal-free catalysts for efficient H2 generation from NaBH4 methanolysis was produced for the first time from apricot kernel shells with two-step activation. The first stage of the two-stage activation includes the production of activated carbon with the KOH agent (AKOH), and the second stage includes hydrothermally HNO3 activation with oxygen doping (O doped AKOH + N). The hydrogen production rate (HGR) and the activation energy (Ea) of the reaction with the obtained metal-free catalyst (10 mg) were determined as 14,444 ml min?1 g?1 and 7.86 kJ mol?1, respectively. The structural and physical-chemical properties of these catalysts were characterized by XRD (X-ray diffraction), SEM (scanning electron microscopy), elemental CHNS analysis, FT-IR (Fourier transform infrared spectroscopy), and nitrogen adsorption analysis. Also, the reusability results of this metal-free catalyst for H2 production are promising. 相似文献
5.
Nonlinearity in regulating the metal to insulator transition of ReNiO3 towards low temperature range
《Ceramics International》2022,48(21):31995-32000
Among the existing material family of the correlated oxides, the rare earth nickelates (ReNiO3) exhibit broadly adjustable metal to insulator transition (MIT) properties that enables correlated electronic applications, such as thermistors, thermochromics, and logical devices. Nevertheless, how to accurately control the critical temperature (TMIT) of ReNiO3 via the co-occupation of the rare-earth elements is yet worthy to be further explored. Herein, we demonstrate the non-linearity in adjusting the TMIT of ReNiO3 towards lower temperatures via introducing Pr co-occupation within ReNiO3 (e.g., PrxNd1-xNiO3 and PrxSm1-xNiO3) as synthesized by KCl molten-salt assisted high oxygen pressure reaction approach. Although the TMIT is effectively reduced via Pr substitution, it does not strictly follow a linear relationship, in particular, when there is large difference in the ionic radius of the co-occupation rare-earth elements. Furthermore, the most significant deviation in TMIT from the expected linear relationship appears at an equal co-occupation ratio of the two different rare-earth elements, while the abruption in the variation of resistivity across TMIT is also reduced. The present work highlights the importance to use adjacent rare-earth elements with co-occupation ratio away from 1:1 for achieving more linear adjustment in designing the metal to insulator transition properties for ReNiO3. 相似文献
6.
《International Journal of Hydrogen Energy》2022,47(26):12903-12913
Oxygen evolution reaction (OER) plays a decisive role in electrolytic water splitting. However, it is still challengeable to develop low-cost and efficient OER electrocatalysts. Herein, we present a combination strategy via heteroatom doping, hetero-interface engineering and introducing conductive skeleton to synthesize a hybrid OER catalyst of CNT-interconnected iron-doped NiP2/Ni2P (Fe-(NiP2/Ni2P)@CNT) heterostructural nanoflowers by a simple hydrothermal reaction and subsequent phosphorization process. The optimized Fe-(NiP2/Ni2P)@CNT catalyst delivers an ultralow Tafel slope of 46.1 mV dec?1 and overpotential of 254 mV to obtain 10 mA cm?2, which are even better than those of commercial OER catalyst RuO2. The excellent OER performance is mainly attributed to its unique nanoarchitecture and the synergistic effects: the nanoflowers constructed by a 2D-like nanosheets guarantee large specific area and abundant active sites; the highly conductive CNT skeleton and the electronic modulation by the heterostructural NiP2/Ni2P interface and the hetero-atom doping can improve the catalytic activity; porous nanostructure benefits electrolyte penetration and gas release; most importantly, the rough surface and rich defects caused by phosphorization process can further enhance the OER performance. This work provides a deep insight to boost catalytic performance by heteroatom doping and interface engineering for water splitting. 相似文献
7.
8.
Bing Huang Meng Wang Guodong Xu Lin Hu Lin Chen Yijie Gu 《Ceramics International》2021,47(6):7700-7710
In this study, La was doped into the lithium layer of Li-rich cathode material and formed a layered-spinel hetero-structure. The morphology, crystal structure, element valence and kinetics of lithium ion migration were studied by field emission scanning electron microscope (FESEM), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS) and electrochemical impedance spectroscopy (EIS). The La doped lithium-rich cathode material exhibited similar initial discharge capacity of 262.8 mAh g?1 at 0.1 C compared with the undoped material, but the discharge capacity retention rate can be obviously improved to 90% after 50 cycles at 1.0 C. Besides that, much better rate capability and Li+ diffusion coefficient were observed. The results revealed that La doping not only stabilized the material structure and reduced the Li/Ni mixing degree, but also induced the generation of spinel phase to provide three-dimensional diffusion channels for lithium ion migration. Moreover, the porous structure of the doped samples also contributed to the remarkable excellent electrochemical performance. All of these factors combined to significantly improve the electrochemical performance of the material. 相似文献
9.
Fangjun Zhu You Shi Guorong Hu Zhongdong Peng Yanbing Cao Qian Sun Zhichen Xue Yinjia Zhang Ke Du 《Ceramics International》2021,47(3):3070-3078
Titanium and boron are simultaneously introduced into LiNi0.8Co0.1Mn0.1O2 to improve the structural stability and electrochemical performance of the material. X-ray diffraction studies reveal that Ti4+ ion replaces Li+ ion and reduces the cation mixing; B3+ ion enters the tetrahedron of the transition metal layers and enlarges the distance of the [LiO6] layers. The co-doped sample has spherical secondary particles with elongated and enlarged primary particles, in which Ti and B elements distribute uniformly. Electrochemical studies reveal the co-doped sample has improved rate performance (183.1 mAh·g-1 at 1 C and 155.5 mAh·g-1 at 10 C) and cycle stability (capacity retention of 94.7% after 100 cycles at 1 C). EIS and CV disclose that Ti and B co-doping reduces charge transfer impedance and suppresses phase change of LiNi0.8Co0.1Mn0.1O2. 相似文献
10.
Liangtao Yang Liang-Yin Kuo Juan Miguel López del Amo Prasant Kumar Nayak Katherine A. Mazzio Sebastian Maletti Daria Mikhailova Lars Giebeler Payam Kaghazchi Teófilo Rojo Philipp Adelhelm 《Advanced functional materials》2021,31(38):2102939
A known strategy for improving the properties of layered oxide electrodes in sodium-ion batteries is the partial substitution of transition metals by Li. Herein, the role of Li as a defect and its impact on sodium storage in P2-Na0.67Mn0.6Ni0.2Li0.2O2 is discussed. In tandem with electrochemical studies, the electronic and atomic structure are studied using solid-state NMR, operando XRD, and density functional theory (DFT). For the as-synthesized material, Li is located in comparable amounts within the sodium and the transition metal oxide (TMO) layers. Desodiation leads to a redistribution of Li ions within the crystal lattice. During charging, Li ions from the Na layer first migrate to the TMO layer before reversing their course at low Na contents. There is little change in the lattice parameters during charging/discharging, indicating stabilization of the P2 structure. This leads to a solid-solution type storage mechanism (sloping voltage profile) and hence excellent cycle life with a capacity of 110 mAh g-1 after 100 cycles. In contrast, the Li-free compositions Na0.67Mn0.6Ni0.4O2 and Na0.67Mn0.8Ni0.2O2 show phase transitions and a stair-case voltage profile. The capacity is found to originate from mainly Ni3+/Ni4+ and O2-/O2-δ redox processes by DFT, although a small contribution from Mn4+/Mn5+ to the capacity cannot be excluded. 相似文献