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The emergence of the hydrogen economy requires development in the storage, generation and sensing of hydrogen. The indium selenide ( γ -InSe) van der Waals (vdW) crystal shows promise for technologies in all three of these areas. For these applications to be realised, the fundamental interactions of InSe with hydrogen must be understood. Here, we present a comprehensive experimental and theoretical study on the interaction of γ -InSe with hydrogen. It is shown that hydrogenation of γ -InSe by a Kaufman ion source results in a marked quenching of the room temperature photoluminescence signal and a modification of the vibrational modes of γ -InSe, which are modelled by density functional theory simulations. Our experimental and theoretical studies indicate that hydrogen is incorporated into the crystal preferentially in its atomic form. This behaviour is qualitatively different from that observed in other vdW crystals, such as transition metal dichalcogenides, where molecular hydrogen is intercalated in the vdW gaps of the crystal, leading to the formation of "bubbles" for hydrogen storage.

Metal-organic frameworks (MOFs)--microporous materials constructed by bridging metal centres with organic ligands--show promise for applications in hydrogen storage, which is a key challenge in the development of the 'hydrogen economy'. Their adsorption capacities, however, have remained insufficient for practical applications, and thus strategies to enhance hydrogen-MOF interactions are required. Here we describe an anionic MOF material built from In(III) centres and tetracarboxylic acid ligands (H(4)L) in which kinetic trapping behaviour--where hydrogen is adsorbed at high pressures but not released immediately on lowering the pressure--is modulated by guest cations. With piperazinium dications in its pores, the framework exhibits hysteretic hydrogen adsorption. On exchange of these dications with lithium cations, no hysteresis is seen, but instead there is an enhanced adsorption capacity coupled to an increase in the isosteric heat of adsorption. This is rationalized by the different locations of the cations within the pores, determined with precision by X-ray crystallography.

A series of isostructural metal-organic framework polymers of composition [Cu2(L)(H2O)2] (L= tetracarboxylate ligands), denoted NOTT-nnn, has been synthesized and characterized. Single crystal X-ray structures confirm the complexes to contain binuclear Cu(II) paddlewheel nodes each bridged by four carboxylate centers to give a NbO-type network of 64.82 topology. These complexes are activated by solvent exchange with acetone coupled to heating cycles under vacuum to afford the desolvated porous materials NOTT-100 to NOTT-109. These incorporate a vacant coordination site at each Cu(II) center and have large pore volumes that contribute to the observed high H2 adsorption. Indeed, NOTT-103 at 77 K and 60 bar shows a very high total H2 adsorption of 77.8 mg g(-)- equivalent to 7.78 wt% [wt% = (weight of adsorbed H2)/(weight of host material)] or 7.22 wt% [wt% = 100(weight of adsorbed H2)/(weight of host material + weight of adsorbed H2)]. Neutron powder diffraction studies on NOTT-101 reveal three adsorption sites for this material: at the exposed Cu(II) coordination site, at the pocket formed by three {Cu2} paddle wheels, and at the cusp of three phenyl rings. Systematic virial analysis of the H2 isotherms suggests that the H2 binding energies at these sites are very similar and the differences are smaller than 1.0 kJ mol-1, although the adsorption enthalpies for H2 at the exposed Cu(II) site are significantly affected by pore metrics. Introducing methyl groups or using kinked ligands to create smaller pores can enhance the isosteric heat of adsorption and improve H2 adsorption. However, although increasing the overlap of potential energy fields of pore walls increases the heat of H2 adsorption at low pressure, it may be detrimental to the overall adsorption capacity by reducing the pore volume.

Highlights: [•] Lead-acid battery increases annual PV self-consumption by 152%. [•] Hydrogen storage increases annual PV self-consumption by 132%. [•] The annual round trip efficiency of the lead-acid battery is 71%. [•] The annual round trip efficiency of the lead-acid battery is 45%. [•] The annual income of performing PV energy time-shift with the lead-acid battery is £112. [ABSTRACT FROM AUTHOR]

Abstract: LiBH4–MgH2 is an attractive reversible hydrogen storage system, it combines two high capacity hydrides (18.3 and 7.6wt.%, respectively) and the concerted dehydrogenation reaction has a smaller enthalpy change than either species on its own. The latter effect leads to a destabilisation of the hydrided products and results in a lowering of the dehydrogenation temperature. In situ neutron diffraction experiments have been undertaken to characterise the mechanism of decomposition of the LiBD4–MgD2 system, with an emphasis on investigating the synergistic effects of the components during cycling under various conditions. This study compares the effect of stoichiometry of the multicomponent system on the cycling mechanism. Results show that LiBD4–MgD2 in a 2:1 molar ratio can be reversibly dehydrogenated under low pressures of hydrogen or under vacuum, contrary to earlier reports in the literature, although the reaction was only partially reversed for the 2:1 mixture decomposed under vacuum. This work shows that the reaction pathway was affected by dehydrogenation conditions, but the stoichiometry of the multicomponent system played a minor role. [Copyright &y& Elsevier]

Metal–organic frameworks (MOFs)—microporous materials constructed by bridging metal centres with organic ligands—show promise for applications in hydrogen storage, which is a key challenge in the development of the ‘hydrogen economy’. Their adsorption capacities, however, have remained insufficient for practical applications, and thus strategies to enhance hydrogen–MOF interactions are required. Here we describe an anionic MOF material built from In(iii) centres and tetracarboxylic acid ligands (H4L) in which kinetic trapping behaviour—where hydrogen is adsorbed at high pressures but not released immediately on lowering the pressure—is modulated by guest cations. With piperazinium dications in its pores, the framework exhibits hysteretic hydrogen adsorption. On exchange of these dications with lithium cations, no hysteresis is seen, but instead there is an enhanced adsorption capacity coupled to an increase in the isosteric heat of adsorption. This is rationalized by the different locations of the cations within the pores, determined with precision by X-ray crystallography. [ABSTRACT FROM AUTHOR]

Abstract: To meet the UK's decarbonization targets the introduction of novel integrated renewable energy generation, storage and demand management systems is required. In this paper the current role of fuel cells in the British domestic sector is discussed using simulation results of a solid oxide fuel cell (SOFC) system in a typical British single dwelling. 17% of carbon dioxide emissions are saved and 69% of the electricity generated by the SOFC system is exported to the grid for this single dwelling according to simulation results. Additionally, the same SOFC system is integrated with photovoltaic technology in a 7 home zero carbon community. The community approach adds a significant benefit given it increases the amount of electricity generated by the SOFC system which is used onsite by 128%, being the price of imported electricity 3 times higher than the export tariff. Then, a combination of short-term and long-term energy storage strategies is suggested by means of a lithium-ion battery and polymer electrolyte membrane (PEM) electrolyser which increased the self-consumption by 118%. According to simulation results, a 6 kW PEM electrolyser with an annual efficiency of 66% only generates 19% of the hydrogen which is consumed by the SOFC system which was used to meet the peak demand using PV generation. [Copyright &y& Elsevier]

Abstract: In this study, the feasibility of using H3PO4-activated lignin for hexavalent chromium adsorption has been investigated. The composite of activated lignin was characterized using FTIR, XRD and SEM with EDAX analysis. It was observed that the pH had a strong effect on the adsorption capacity; adsorption of Cr(VI) was more favorable at acidic pH with maximum uptake at pH 2. The adsorption equilibrium data were best represented by Koble–Corrigan isotherm. The monolayer sorption capacity obtained from the Langmuir model was found to be 77.85mg/g. Adsorption showed pseudo-second order rate kinetics and the process involving the rate-controlling step is complex as it involves both film and intraparticle diffusion processes. The NaOH desorbing agent was able to release approximately 84% of metal ions. Thermodynamic parameters showed that the sorption process is exothermic and non-spontaneous. The overall Cr(VI) retention on the activated lignin surface perhaps includes both the physical adsorption of Cr(VI) and the consequent reduction of Cr(VI) to Cr(III). [Copyright &y& Elsevier]

Elevated temperature cycling studies were performed on two commercial gas atomised Mg spherical powders (average diameter of 26 μ m and 30 μ m) with magnetron sputtered catalysts (chromium, iron, vanadium and stainless steel) applied to their surfaces. At 350 °C, the presence of a catalyst promotes faster reaction kinetics with improving capacity until approaching stabilisation by the 90th cycle, e.g. the normalised capacity of V_Mg30 was found to rise from 45.5% to 65.5%. Following determination of activation energies (from Kissinger plots) and microstructural analysis of the post cycled structures a mechanism was proposed for the differing evolutions of the uncoated and coated Mg powders based upon a complex process in which particle sintering competes with particle fragmentation. Catalyst effectiveness varied with temperature, having a negligible impact on hydrogen storage characteristics of the atomised Mg powders following 50 cycles at 400 °C and this was mainly associated with the lack of multivalency in the catalysts. [ABSTRACT FROM AUTHOR]

Abstract: In situ neutron diffraction was undertaken on stoichiometric 2LiBD4 : MgD2 and non-stoichiometric 0.3LiBD4:MgD2 with both ratios decomposed under 1bar deuterium and under dynamic vacuum. The subsequent cycling behaviour under 100bar D2 at 400°C was investigated in situ. Analysis of the uptake through formation of deuterided products showed fast kinetics for the magnesium rich system, 0.3:1, with 90% deuteriding occurring within 10min. This compares to only 60% deuteriding for the 2:1 sample after 4h under similar conditions. These results demonstrate the strong influence of stoichiometry in the cycling kinetics compared to decomposition conditions, although the later determines the phase progression. [Copyright &y& Elsevier]

Abstract: Lithium tetrahydridoboranate is among the materials with the highest hydrogen content and has great potential as a possible H2-storage material, although, the release and uptake of H2 is not fully understood. In this work, LiBH4 was studied by in situ synchrotron radiation powder X-ray diffraction (PXD) and solid state CP/MAS NMR both at variable temperatures. This study revealed two new phases observed during dehydrogenation of LiBH4. Phase I is hexagonal, a =4.93(2) and c =13.47(3)Å and is observed in the temperature range ∼200–300°C, and phase II is orthorhombic, a =8.70(1), b =5.44(1) and c =4.441(8)Å and is observed in the temperature range ∼300–400°C applying a constant heating rate of 5°C/min. Apparently, I transforms into II, e.g. at a constant temperature of T =265°C after 5h. Furthermore, a third phase, III, is observed in the temperature range RT to 70°C, and is caused by a reaction between LiBH4 and water vapor from the atmosphere. Hydrogen release is associated with the decomposition of III at ca. 65°C. [Copyright &y& Elsevier]

The article presents a study which evaluates the synthesis, structure and gas storage properties of porous metal-organic frameworks (MOFs). It mentions that MOFs are investigated for Hydrogen storage, whereas when compared with other physisorbents, they have the advantages of high internal surface areas and pore volumes. Results show that through the incorporation of nanosized C3 symmetrical ligand within an rht topology network, an NOTT-116 has been successfully generated.