Hydrogen release mechanisms of MgH2 over NiN4-embedded graphene nanosheet: First-principles calculations

In this study, first-principles calculations were performed to investigate the catalytic effect of NiN4-G on the dehydrogenation of MgH₂. Side-on MgH₂ can be adsorbed stably on the NiN4-G monolayer and is preferentially adsorbed on the NiN4 site compared with the graphene site. The hydrogen desorption process, in which MgH₂ dissociated to the Mg atom on the NiN4 site or graphene site and an H₂ molecule in the vacuum, should overcome lower barriers than pure MgH₂. This is because the corresponding Mg–H bond is weakened owing to the electron transfer between the Mg atom and the substrate. The hydrogen desorption enthalpies of the (MgH₂)₅ cluster on the NiN4 active and graphene sites are significantly smaller (0.11 eV and 1.50 eV, respectively) when H2+H2 is released from the cluster compared with those of the undoped MgH₂ cluster (2.48 eV). Therefore, the NiN4-G monolayer can provide the double effect of the NiN4 active and graphene sites on improving the dehydrogenation performance of MgH₂.     

Physical and sensory properties of lemon-flavored acidic beverages formulated with nonfat dry milk during storage

Sensory and physical properties of 2 lemon-flavored beverages with 5% and 7.5% wt/wt nonfat dry milk (NFDM) at pH 2.5 were studied during storage. The 2 beverages had similar volatile compounds, but the 5% NFDM had higher aroma and lemon flavor, with a preferred appearance by consumers due to the lower turbidity and viscosity. After 28 d of storage at 4°C, lemon flavor decreased in the 5% NFDM beverage but was still more intense than the 7.5% one. During 70 d of storage, no microorganisms were detected, and the beverages were more stable when stored at 4°C than at room temperature according to changes of physical properties measured for appearance, turbidity, color, particle size, zeta potential, rheological properties, and transmission electron microscopy morphology. Findings of the present study suggest that NFDM may be used at 5% wt/wt to produce stable acidic dairy beverages with low turbidity when stored at 4°C.     

Tailoring surface capacitance of Ti3C2Tx-PANI@CNTs nanoarchitecture for tunable energy storage and high-performance micro-supercapacitor

Transition metal carbide or nitride (MXenes), as a novel family of two-dimensional materials, exhibit huge potential for electrochemical energy storage thanks to their excellent electrical conductivity, fast ion diffusion rate, high electrochemical activity and good hydrophilicity. However, the electrochemical properties of MXenes tend to be deteriorated due to the self-restacking phenomenon. Herein, by self-assembly, a unique three-dimensional (3D) Ti₃C₂T_x-PANI@CNTs (TPCs) nanoarchitecture was constructed. Through optimizing structures, the surface capacitance of TPCs can be tailored to tune energy storage. The optimal specific capacitance up to 431.9 F/g was achieved under 1 A/g. Further, the TPCs nanoarchitectures were prepared into self-standing films with excellent mechanical properties and micro-supercapacitors (MSCs) in various shapes were manufactured based on the film. The MSCs demonstrate competitive energy storage capacities, obtaining an areal capacitance of 78.2 mF/cm² and energy density of up to 2.72 μWh/cm², still maintain excellent performance under harsh bending. The strategy for constructing 3D nanoarchitectures and further manufacturing MSCs can inspire the design of novel electrode materials and devices to advance the development in the field of energy storage.     

Facile self-assembly approach to construct a novel MXene-decorated nano-sized phase change material emulsion for thermal energy storage

In recent years, phase change material emulsions (PCMEs) with enhanced energy storage capacities and good flow characteristics have drawn significant attention. However, due to the thermodynamically unstable nature and tiny particle confinement, the nanomaterial modification strategies at PCM/water interface to improve stabilities and reduce supercooling of nano-sized PCMEs (NPCMEs) are very limited and challenging. Herein, we report a facile strategy for constructing MXene-decorated NPCME with good stability, little supercooling, and high thermal conductivity by self-assembly of MXene nanosheets at PCM/water interface. The concentrations of MXene have great influences on the average droplet diameters, stabilities, and thermophysical properties of the NPCMEs. The results show that the PCMs have been well dispersed into the water in the form of quasi-spherical droplets, with average droplet diameters of 242–805 nm. The thermal conductivity of 10 wt% n-tetradecane/water NPCME containing 9 mg ml^-1 MXene is 0.693 W m^-1·K^-1, achieving an enhancement by 15.5%, as compared to that of water. Besides, the MXene-decorated paraffin/water NPCMEs exhibit little supercooling and enhanced heat storage capacities. More importantly, this facile self-assembly strategy opens a new platform for preparing high-performance NPCMEs, which can be used as novel heat transfer fluids for thermal energy storage systems.     

Data requirements for improving the Quantitative Risk Assessment of liquid hydrogen storage systems

Quantitative Risk Assessment (QRA) supports the development of risk-informed safety codes and standards which are employed to enable the safe deployment of hydrogen technologies essential to decarbonize the transportation sector. System reliability data is a necessary input for rigorous QRA. The lack of reliability data for bulk liquid hydrogen (LH₂) storage systems located on site at fueling stations limits the use of QRAs. In turn, this hinders the ability to develop the necessary safety codes and standards that enable worldwide deployment of these stations. Through a QRA-based analysis of a LH₂ storage system, this work focuses on identifying relevant scenario and probability data currently available and ascertaining future data collection requirements regarding risks specific to liquid hydrogen releases. The work developed consists of the analysis of a general bulk LH₂ storage system design located at a hydrogen fueling station. Failure Mode and Effect Analysis (FMEA) and traditional QRA modeling tools such as Event Sequence Diagrams (ESD) and Fault Tree Analysis (FTA) are employed to identify, rank, and model risk scenarios related to the release of LH₂. Based on this analysis, scenario and reliability data needs to add LH₂-related components to QRA are identified with the purpose of improving the future safety and risk assessment of these systems.     

Li decorated heteroborospherene C4B32 as high capacity and reversible hydrogen storage media: A DFT study

In this work, adsorption of H₂ molecules on heteroborospherene C_2v C₄B₃₂ decorated by alkali atoms (Li) is studied by density functional theory calculations. The interaction between Li atoms and C₄B₃₂ is found to be strong, so that it prevents agglomeration of the former. An introduced hydrogen molecule tilts toward the Li atoms and is stably adsorbed on C₄B₃₂. It is obtained that Li₄C₄B₃₂ can store up to 12H₂ molecules with hydrogen uptake capacity of 5.425 wt% and average adsorption energy of ?0.240 eV per H₂. Dynamics simulation results show that 6H₂ molecules can be successfully released at 300 K. Obtained results demonstrate that Li decorated C₄B₃₂ is a promising material for reversible hydrogen storage.     

Dynamic simulation of hydrogen-based off-grid zero energy buildings with hydrogen storage considering Fanger model thermal comfort

In this study, some locations with different climates, off-grid zero energy buildings with hydrogen energy storage systems are designed, and transient analysis is conducted. These considered buildings supply their electricity consumption without using the electrical grid and PV panels or wind turbines. Also, they supply thermal comfort to occupants by using a vapor compression chiller and humidifier. Domestic hot water of occupants is supplied using solar collectors. For analyzing building's performance and objectives achievement, TRNSYS software is used. Also, for evaluating occupant thermal comfort, the Fanger model is used. The considered building is a one-story building with a 150 m² area. Four occupants are considered. Both of them are seated at rest, and another is seated with light working such as typing. Using the Fanger model equation and MATLAB software, the thermal comfort of occupants is determined. For domestic hot water consumption, verified profiles that vary during 24 h of the day are considered. Achieved results show that for humid and cold cities, PV panels with an area of 73 and 76 m² can be supplied the required electricity of considered building with four occupants and battery state of charge is higher than 50% and 10%, respectively. Moreover, with a suitable air conditioner system, the predicted percentage of dissatisfied (PPD) can be lower than 12% and 8% for humid and cold cities. Therefore, the building can be converted to a zero-energy building using its rooftop area.     

(1-x)Bi0.5Na0.47Li0.03TiO3-xNaNbO3 lead-free ceramics with superior energy storage performances and good temperature stability

Dielectric capacitors show great potential in superior energy storage devices. However, the energy density of these capacitors is still inadequate to meet the requirement of energy storage applications. In this study, the Bi_0.5Na_0.47Li_0.03TiO₃-xNaNbO₃ (BNLT-xNN) ceramics were prepared via conventional solid-phase reaction. Results showed that NN can efficaciously enhance the breakdown strength (E_b) and the relaxation behavior of the BNLT ceramic because of the broken ferroelectric long-range order. When x = 0.3, the maximum E_b reached 350 kV/cm, at which the 0.7BNLT-0.3NN ceramic exhibited the high recoverable energy storage density (W_rec) of 4.83 J/cm³ and great efficiency (η) of 78.9%. The ceramic demonstrated good temperature stability at 20 °C-160 °C and excellent fatigue resistance. Additionally, the 0.7BNLT-0.3NN ceramic presented high power density (P_D; ～77.58 MW/cm³), large current density (C_D; ～861.99 A/cm²), and quite short discharge time (t_0.9; ～0.090 μs). These results indicated that the 0.7BNLT-0.3NN material has excellent energy storage properties and various application prospects.     

Enhanced hydrogen desorption kinetics and cycle durability of amorphous TiMgVNi3-doped MgH2

MgH₂ is considered as a promising hydrogen storage material for on-board applications. In order to improve hydrogen storage properties of MgH₂, the amorphous TiMgVNi₃-doped MgH₂ is prepared by ball milling under hydrogen atmosphere. It is found that the catalytic (Ti,V)H₂ and Mg₂NiH₄ nanoparticles are in situ formed after activation. As a result, the amorphous TiMgVNi₃-doped MgH₂ exhibits enhanced dehydrogenation kinetics (the activation energy for hydrogen desorption is 94.4 kJ mol^?1 H₂) and superior cycle durability (the capacity retention rate is up to 92% after 50 cycles). These results demonstrate that the in situ formation of highly dispersed catalytic nanoparticles from an amorphous phase is an effective pathway to enhance hydrogen storage properties of MgH₂.