Molecular Hydrogen Research Articles

Co, Ni and Cu-doped Ca2Fe2O5-based oxygen carriers for enhanced chemical looping hydrogen production

Oxygen carrier determines the output characteristics of the chemical looping cycle reaction and is a key factor affecting the chemical looping hydrogen production (CLH) process. In this work, the effect of different dopants (Co, Ni and Cu) on Ca2Fe2O5 brownmillerite-type oxygen carriers and the feasibility of low doping were investigated in an attempt to improve CO conversion and hydrogen yield in the CLH reaction. The redox activity of the transition metal doped oxygen carriers was significantly enhanced. The fuel conversion of CaFeNi was increased to 1.29 times. The average hydrogen yield of CaFeCo was as high as 102.20 mL/g, which was 1.58 times that of CaFe. In addition, density functional theory calculations show that metal-doped Ca2Fe2O5 reduced the energy of oxygen vacancy formation, but they bore a significant energy barrier in the formation of hydrogen molecules. These findings may provide ideas for the modification of oxygen carriers for the CLH process.

Enhanced hydrogen storage of single-layer blue phosphorus by synergistic effect between doped lightweight elements and grafted lithium atoms

Single-layer blue phosphorus (SLBP) has displayed charming photoelectric performances, but its property in hydrogen storage is not outstanding due to the weak interactions. To expand the application of SLBP in hydrogen storage, we attempt to screen SLBP-based materials with stable structures and strong polarity using density functional theory by doping lightweight elements and grafting alkali metal atoms. The simulation results indicate that the lightweight elements (B, C, N, O and F) doped SLBP systems have more stable structures due to the strong orbital interaction than pure SLBP, and exhibit electron deficient characteristics. Compared to the pure SLBP, the H2 adsorption energies of the doped systems improve and range from 0.05 to 0.09 eV, but it still cannot meet the requirements of ideal hydrogen storage. Therefore, the lightweight element doped SLBP systems are further grafted by Li atom. Under the synergistic effect of doping lightweight elements and grafting Li atoms, H2 molecules are strongly polarized, and the corresponding adsorption energies of H2 reach to 0.16, 0.26, 0.28, 0.30, and 0.10 eV, respectively. It is worth emphasizing in the C-doped SLBP system that the hydrogen storage capacity of reaches 5.53 wt% for each Li atom adsorbs one hydrogen molecule and the corresponding adsorption energy is 0.23 eV/H2 when the ratio of C to P atoms increases to 6:26. For each Li atom adsorbs two hydrogen molecules in the same hydrogen storage system, the hydrogen storage capacity reaches 10.48 wt% with 0.18 eV/H2 adsorption energy. We hope these results can provide theoretical basis and scientific guidance for searching for SLBP-based materials with excellent hydrogen storage performances at ambient temperature.

The delayed senescence in harvested blueberry by hydrogen-based irrigation is functionally linked to metabolic reprogramming and antioxidant machinery

Molecular hydrogen is beneficial for fruits quality improvement. However, the mechanism involved, especially cellular metabolic responses, has not been well established. Here, the integrated widely targeted metabolomics analysis (UPLC-MS/MS) and biochemical evidence revealed that hydrogen-based irrigation could orchestrate, either directly or indirectly, an array of physiological responses in blueberry (Vaccinium spp.) during harvesting stage, especially for the delayed senescence in harvested stage (4 °C for 12 d). The hubs to these changes are wide-ranging metabolic reprogramming and antioxidant machinery. A total of 1208 distinct annotated metabolites were identified, and the characterization of differential accumulated metabolites (DAMs) revealed that the reprogramming, particularly, involves phenolic acids and flavonoids accumulation. These changes were positively matched with the transcriptional profiles of representative genes for their synthesis during the growth stage. Together, our findings open a new window for development of hydrogen-based agriculture that increases the shelf-life of fruits in a smart and sustainable manner.

Intestine‐Targeted Controlled Hydrogen‐Releasing MgH2 Microcapsules for Improving the Mitochondrial Metabolism of Inflammatory Bowel Disease

AbstractThe development of efficient therapeutic agents with low side effects for inflammatory bowel disease management is a longstanding challenge. Recently, hydrogen molecule (H2) is identified as an emerging spectrum‐wide, effective, and biosafe anti‐inflammatory agent, but intestine‐targeted H2 delivery is still challenging. Here, an intestine‐targeted controlled hydrogen‐releasing microcapsule (MgH2@EC@ES) is developed by confining abundant MgH2 microparticles in the hydrophobic network of ethyl cellulose (EC) before being encapsulated with Eudragit S100 (ES) by a multistep microemulsion method. The pH‐responsive swelling feature of ES enables MgH2@EC@ES microcapsules to escape from the stomach after oral administration and to hydrolytically produce a high amount of H2 in the intestinal tract in a sustained way. High‐dose oral administration of MgH2@EC@ES microcapsules exhibits a high outcome of colitis prevention, which is comparable to the first‐line drug 5‐aminosalicylic acid (5‐ASA) in the changes of body/spleen weights and disease activity and even better in the recovery of colon length and the improvement of histopathological change in the colon than 5‐ASA in a colitis mouse model. Mechanically, it is innovatively revealed that H2 released from MgH2@EC@ES microcapsules protects the complexes in the mitochondrial electron transfer chain from oxidative damage to enhance the energy metabolism of intestinal cells in support of mucosal restoration in colitis.

On the molecular mechanisms of / uptake in confined ionic liquids: A computational study

Classical molecular dynamics and hybrid grand canonical Monte Carlo/molecular dynamics simulations were combined to analyse the gas uptake mechanism of hydrogen and nitrogen molecules inside carbon nanotubes filled with an ionic liquid. Several nanotube diameters (from 6 Å to 12.24 Å) and two different ionic liquids (ethylammonium nitrate and 1-ethyl-3-methylimidazolium tetrafluoroborate) were considered to study their effect on the gas capture capacity and on the location of gas molecules within the nanotubes. The simulations showed that nitrogen absorption ability is, in general, greater than that of hydrogen, with the aprotic ionic liquid being more efficient for gas confinement. In addition, gas capture was observed to increase from a scarce 0.4% in bulk ionic liquids up to 8%-25% inside small nanotubes, and the maximum gas uptake was observed for those nanotubes that allow for a greater degree of conformational freedom of the ionic liquid. However, our calculations show that, whereas hydrogen storage is mainly governed by the amount of accessible free volume, for understanding that of nitrogen solvation energetics must be also considered. In all cases, gas molecules are absorbed in the ionic liquid-rich-region, but the interactions with the other components of the system favour their accommodation closer to the carbon wall than to the nanotube center. Finally, single-particle dynamics of gas molecules was analyzed by means of the velocity autocorrelation functions and the vibrational density of states, which show a blue-shifting when increasing the radius of the nanotube.

Enhanced hydrogen adsorption-desorption reversibility found on NiAl alloy: A first-principles study

Improving the hydrogen storage performance of carbon-based materials via transition metals incorporation has been proved experimentally, where control over the hydrogen adsorption kinetics and hydrogen surface diffusion is the key. In this work, we proved theoretically via density functional theory (DFT) how such incorporation promotes better hydrogen storage performance in Ni-based materials supported on graphene, in which static and dynamic behavior of the system were modeled by plane-wave DFT and ab initio molecular dynamics (AIMD), respectively. In addition, the hydrogen storage materials Ni10Al3 and Ni13 supported on graphene, denoted as Ni10Al3/GP and Ni13/GP, are modeled to realize the experimental observation on Ni3Al alloy under high hydrogen pressure. It was found that the Ni10Al3/GP alloy system exhibited better properties in twofold: (1) increased hydrogen adsorption capacity through providing an additional site for H2 molecular adsorption, particularly on the Al atoms, and (2) enhanced hydrogen desorption at ambient conditions observed from reversible H2 adsorption at all coverages with barrierless migration energy. Therefore, the proof from the DFT point-of-view provides valuable insight into exploring other metal alloy systems that can provide additional sites for molecular hydrogen adsorption and improve hydrogen adsorbate mobility.

Modeling Molecular Hydrogen in Low-metallicity Galaxies

We use a suite of hydrodynamics simulations of the interstellar medium (ISM) within a galactic disk, which includes radiative transfer, a nonequilibrium model of molecular hydrogen, and a realistic model for star formation and feedback, to study the structure of the ISM and H2 abundance as a function of local ISM properties. We show that the star formation rate and structure of the ISM are sensitive to the metallicity of the gas with a progressively smoother density distribution with decreasing metallicity. In addition to the well-known trend of the H I–H 2 transition shifting to higher densities with decreasing metallicity, the maximum achieved molecular fraction in the ISM drops drastically at Z ≲ 0.2 Z ⊙ as the formation time of H2 becomes much longer than a typical lifetime of dense regions of the ISM. We present accurate fitting formulae for both volumetric and projected fH2 measured on different scales as a function of gas metallicity, UV radiation field, and gas density. We show that when the formulae are applied to the patches in the simulated galaxy, the overall molecular gas mass is reproduced to better than a factor of ≲1.5 across the entire range of metallicities and scales. We also show that the presented fit is considerably more accurate than any of the previous fH2 models and fitting formulae in the low-metallicity regime. The fit can thus be used for modeling molecular gas in low-resolution simulations and semi-analytic models of galaxy formation in the dwarf and high-redshift regimes.

Chemoselective Hydrogenation of Nitroarenes over highly active 3D-COF derived Co-nanocarbon Catalyst

This study unveils a novel approach by efficiently loading earth-abundant cobalt onto a covalent organic framework (COF) for catalyzing the hydrogenation of nitroarenes to aryl amines. The synthesized Co@NC650 nanocomposites exhibit enhanced graphitization and catalytic performance, attributed to synergistic interactions between cobalt and the carbon matrix. The Co@NC650 The resulting material is thoroughly characterized using techniques such as PXRD, XPS, FE-SEM, TEM, and FT-IR. Utilizing this synthesized catalyst, a chemoselective reduction of nitroarenes to corresponding amines is demonstrated under relatively mild conditions, employing molecular hydrogen as sole reductant without any additives or bases. The methodology delivers high yields and exhibits tolerance towards wide range of functional groups. The chemoselective hydrogenation is achieved even in the presence of other potentially reducible functional groups such as ketones, carboxylic acids, amides, sulphonamides, and chalcones. Selected examples showcasing the synthesis of biologically important amines are presented. Furthermore, the proposed catalyst demonstrates reusability without any loss of activity.

High capacity hydrogen storage structure based on a two-dimensional material (Ga2C6) with strong adsorption properties

The use of solid-state devices is a promising approach to address the current technological requirements for sustainable clean energy applications. Within this context, it has become apparent that density functional theory (DFT) has emerged as a powerful tool to study intrinsic electronic characteristics and shows great potential to lead the way to novel materials exploration. Here, we have investigated H2 adsorption on Ga2C6 monolayer, a prospective model for the storage of H2 molecule because of its structural stability. The hydrogen molecules favor being adsorbed at the carbon hexagon center with a binding energy of 0.39 eV. The thermodynamic stability of the Ga2C6 monolayer upon adsorption of 22H2 molecules was evaluated at room temperature using ab-initio molecular dynamics (AIMD) simulations. It is found from the electronic structure analysis that the semiconducting Ga2C6 sheet maintain its behavior after 22H2 molecules were adsorbed. Owing to the small activation energy of about 0.0198 eV, the process of H2 molecule migration at the surface easy proceeds. This investigation demonstrates a strong (GC) gravimetric capacity around 9.65 wt%, and a desorption temperature (TD) around 213.68 K. The above findings imply that the Ga2C6 monolayer may serve as a suitable medium for hydrogen adsorption.

Search for Chirality in Hydrogenated Magnesium Nanosilicates: A DFT and TD-DFT Investigation.

The formation of silicate grains in the interstellar medium (ISM), especially those containing chiral surfaces such as clinopyroxenes, is poorly understood. Moreover, silicate interactions with various forms of hydrogen-proton (H+), neutral H (HI), and molecular hydrogen (H2) are of high importance as hydrogen comprises >90% of the ISM gas budget, and these species play important roles in the formation of new molecules in space. Furthermore, silicate surfaces catalyze the formation of H2 in the interstellar medium formed on dust grain surfaces by H-H association. The technical difficulty of in situ laboratory investigations of nanosilicate nucleation using astrophysically relevant environmental conditions makes computational chemistry a useful tool for studying potential nanosilicate structures. Furthermore, chiral surfaces interacting with chiral organic molecules could serve as templates that lead to the enantiomeric excess of l-amino acids and d-polyols detected in carbonaceous meteorites. However, in order for this effect to take place, an excess of one chiral form of a mineral is required to break the symmetry. This symmetry-breaking event could have been due to the asymmetric absorption of circularly polarized light by the nanosilicate as it traverses star-forming regions. We investigate this possibility using a metastable chiral form of an enstatite dimer as an input for density functional theory (DFT) and time-dependent (TD)-DFT calculations to obtain various properties and circular dichroism spectra. All in all, twenty-six magnesium nanosilicate structures were studied using varying degrees of hydrogenation: none, with HI, with H+, and with H2. The HSE06/aug-cc-pVQZ level of theory was used for the DFT calculations. TD-DFT calculations utilized the CAM-B3LYP/cc-pVQZ and ωB97X-D3/cc-pVQZ functional and basic set pairings. Results show that (1) all twenty-six structures have absorption bands that fall within the 0.6-28.3 μm range available with the newly launched James Webb Space Telescope and (2) there is a small enantioselective effect by UV-CPL on the eight chiral enstatite dimers (predicted g-values of up to 0.007). While the observed effect is small, it opens up the possibility that it is the inorganic material that becomes enantiomerically biased by UV-CPL, driving chiral enhancements in meteoric organic molecules.

Metal-Ligand Coordination Driven Di/Tri-nuclear Helicate and Mesocate: A Brief Review

Helicity is a geometric motif that can be observed in nature as well as artificial structures. In synthetic supramolecular architectures, helicity can be incorporated by conformational restrictions of macromolecules, inter- or intra- molecular hydrogen bonds or coordination to metal ions. In present brief review, the discussions will be restricted on the metal-ligand coordination driven self-assembled di/tri-nuclear helical structures. Furthermore, the chirality of the helical structures is enlightened, which arises due to preferential orientation of the ligand strands around the metal centers that comprise the formation of two type helicates, one is homo-chiral helicate and the other is hetero-chiral helicate or mesocate.

Accurate reference spectra of HD in an H2--He bath for planetary applications

The hydrogen deuteride (HD) molecule is an important deuterium tracer in astrophysical studies. The atmospheres of gas giants are dominated by molecular hydrogen, and the simultaneous observation of H$_2$ and HD lines provides reliable information on the D/H ratios on these planets. The reference spectroscopic parameters play a crucial role in such studies. Under the thermodynamic conditions encountered in these atmospheres, spectroscopic studies of HD require not only the knowledge of line intensities and positions but also accurate reference data on pressure-induced line shapes and shifts. Our aim is to provide accurate collision-induced line-shape parameters for HD lines that cover any thermodynamic conditions relevant to the atmospheres of giant planets, namely any relevant temperature, pressure, and perturbing gas composition (the H$_2$--He mixture). We performed quantum-scattering calculations on our new, highly accurate ab initio potential energy surface (PES) and we used scattering S matrices obtained in this way to determine the collision-induced line-shape parameters. We used cavity ring-down spectroscopy to validate our theoretical methodology. We report accurate collision-induced line-shape parameters for the pure rotational R(0), R(1), and R(2) lines, the most relevant HD lines for investigations of the atmospheres of the giant planets. Besides the basic Voigt-profile collisional parameters (i.e., the broadening and shift parameters), we also report their speed dependences and the complex Dicke parameter, which can influence the effective width and height of the HD lines up to almost a factor of 2 for giant planet conditions. The sub-percent-level accuracy reached in this work is a considerable improvement over previously available data. All the reported parameters (and their temperature dependences) are consistent with the HITRAN database format, hence allowing for the use of the HITRAN Application Programming Interface (HAPI) for generating the beyond-Voigt spectra of HD.

Simulation of Voltage Applied Effect on Carbon-Doped Boron Nitride Nanoribbon Hydrogen Gas Sensing Performance

Advanced materials have been widely investigated for numbers of electronics application. The aim is to provide higher device performance and mitigating the short channel effect. In this work, the performance of hydrogen sensing on carbon-doped boron nitride nanoribbon (BC2NNR) is investigated in response to different gate voltage applied, Vgs. The simulation is done to see the variation in the density of state (DOS) and the variation in the I – V characteristic. From the simulation, a significant effect is found when the Hydrogen gas was attached to different atom positions within the BC2NNR surface. A notable difference in sensitivity was achieved when Vgs is varied from 0 V to 2 V. In fact, a sensitivity of 85.07 % was achieved when the hydrogen molecule was attached to carbon atom. The result presented here may become guideline for experimentalists fabricating BC2NNR for gas sensing application.

Effects of magnetic and Aharonov–Bohm flux fields on information entropy with modified Kratzer plus screened Coulomb potential for selected diatomic molecules

The Shannon information entropy for scandium fluoride (ScF) and hydrogen ( H 2 ) molecules in the presence of magnetic and Aharanov–Bohm (AB) fields with modified Kratzer plus screened Coulomb potential in the position and momentum coordinate is investigated. The wavefunction and probability density are obtained by solving the two-dimensional (2D) Schrödinger wave equation using the Nikiforov–Uvarov functional analysis method and then applied to calculate the Shannon entropy. The graphical behaviour of the 2D wavefunction and probability density is showcased. Our results depict the effects of the external fields on Shannon entropy for ScF and ( H 2 ) , the negative values of the position Shannon entropies obtained imply higher localisation of the particles and molecules indicating more stability of the system. Another interesting part of this work is that Bialynicki–Birula–Mycielski inequality is tested and proven bounded for both diatomic molecules. A few to mention, this research will enhance the apprehension of the dynamics of quantum molecules and systems subjected to external fields, quantum information signal processing and communication.

Reductive N-Alkylation of Amines with Ketones Using Heterogeneous Polysilane-Palladium Catalysts under Continuous-Flow Conditions.

This work reports a continuous-flow reductive N-alkylation of amines with ketones using molecular hydrogen. The reaction, performed with highly active polysilane-modified heterogeneous palladium catalysts, enables the efficient synthesis of diversely substituted amines under mild flow conditions. The developed catalyst exhibits sustained activity for 5 days (turnover number of >2400). Moreover, the utility of the method is demonstrated by the synthesis of a key intermediate of the active pharmaceutical ingredient teneligliptin.

Unraveling Hydrogen Adsorption on Transition Metal-Doped [Mo3S13]2- Clusters: Insights from Density Functional Theory Calculations.

Molecular and dissociative hydrogen adsorption of transition metal (TM)-doped [Mo3S13]2- atomic clusters were investigated using density functional theory calculations. The introduced TM dopants form stable bonds with S atoms, preserving the geometric structure. The S-TM-S bridging bond emerges as the most stable configuration. The preferred adsorption sites were found to be influenced by various factors, such as the relative electronegativity, coordination number, and charge of the TM atom. Notably, the presence of these TM atoms remarkably improved the hydrogen adsorption activity. The dissociation of a single hydrogen molecule on TM[Mo3S13]2- clusters (TM = Sc, Cr, Mn, Fe, Co, and Ni) is thermodynamically and kinetically favorable compared to their bare counterparts. The extent of favorability monotonically depends on the TM impurity, with a maximum activation barrier energy ranging from 0.62 to 1.58 eV, lower than that of the bare cluster (1.69 eV). Findings provide insights for experimental research on hydrogen adsorption using TM-doped molybdenum sulfide nanoclusters, with potential applications in the field of hydrogen energy.

Small-Angle X-ray Scattering Study of the Amphiphilic Bulk Nanostructure of Tetraalkylammonium Deep Eutectic Solvents.

Deep eutectic solvents (DESs) are low-melting mixtures, often prepared from a salt and a molecular hydrogen bond donor. Like ionic liquids, DESs that contain at least one sufficiently amphiphilic component can form bicontinuous nanostructures consisting of polar and nonpolar domains, although this has not been widely explored for many DES combinations. Here, the bulk nanostructures of DESs comprising tetraalkylammonium bromide salts (tetrabutylammonium bromide, tetraoctylammonium bromide, and methyltrioctylammonium bromide) with alkanols and alkanoic acids of systematically varied chain lengths (C2, C6, C8, and C10) as hydrogen bond donors have been studied. Small-angle X-ray scattering techniques were used to identify the relationship between the alkyl chain length and functionality of the hydrogen bond donor on the nature of the amphiphilic nanostructures formed. These findings demonstrated that the amphiphilic nanostructures of the DESs were not affected by the functional group on the hydrogen bond donor, with these nanostructures influenced primarily by both the absolute and relative alkyl chain lengths of the salt and hydrogen bond donor.

Al-MIL-53 metal-organic framework supported Ru catalyst for selective hydrodeoxygenation of lignin-derived phenols into cyclohexane

Catalytic hydrodeoxygenation (HDO) of guaiacol, as a bio-oil model compound, was investigated employing Ru/Al-MIL −53 Metal-Organic Framework and Ru/γ-Al2O3 catalysts under external molecular hydrogen. Notably, the HDO results attributed the remarkable potential of the Ru/Al-MIL −53 MOF toward the comparatively high conversion of guaiacol (70%) together with a high proportion of cyclohexanol (23%) at a catalyst/feed (C/F) ratio of 1:5. However, only a 30% conversion was found with only 3.5% cyclohexanol for Ru/γ-Al2O3 for the same C/F ratio. This was due to the high porosity and presence of numerous vacancies in the MOF, which directly affects the H2-dissociation/ spillover that assists the transfer of produced H-radicals for further conversion of the adsorbed guaiacol molecules. Notably, the activity of Ru/Al-MIL −53 was remarkably increased by decreasing the amount of guaiacol. The maximum conversion was achieved (100%) for a C/F ratio of 1:1, with a higher (96.2%) selectivity for cyclohexane. The reusability test for the spent catalyst did not show any significant change in catalyst performance for up to five successive cycles.

Optimizing the Incorporation Modes of TiO2 in TiO2-Al2O3 Composites for Enhancing Hydrodesulfurization Performance of Corresponding NiMoP-Supported Catalysts

TiO2-Al2O3 supports with different incorporation methods of titania were synthesized via three methods: impregnation (TA-I), co-precipitation (TA-CP), and co-precipitation–hydrothermal treatment (TA-HT). And the NiMoP catalysts prepared on the corresponding supports were evaluated for hydrodesulfurization (HDS) reactions. The results demonstrated that the Ti atoms in TA-I are attached to alumina through hydroxyl groups, while the Ti atoms in TA-CP and TA-HT can be dispersed in the alumina skeleton. Variations in the incorporation modes of TiO2 affect the support properties, consequently influencing the nature of the active metal on the supports. The Ti atoms dispersed in the Al2O3 skeleton allow an increase in the basic hydroxyl groups. Meanwhile, TiO2 in TA-CP and TA-HT can absorb hydrogen molecules and be partially reduced. Furthermore, metal species supported on the TA-CP and TA-HT are more easily reduced and better dispersed. For the NiMoP catalysts prepared with TA-CP and TA-HT, the Ti element promotes the sulfidation degree of Mo, besides shortening the average (Ni)MoS2 slab. The catalysts prepared with TA-CP exhibited superior activity for 4,6-DMDBT hydrodesulfurization. This can be ascribed not only to the relatively high sulfidation degree of Mo and proportion of the NiMoS active phase but also to the well-dispersed (Ni)MoS2 slabs. Moreover, the Ti4+ ions dispersed in the Al2O3 skeleton can be partially reduced to act as electron donors, enhancing the metallic character of the S layers in MoS2, which facilitates the improvement of the hydrogenation desulfurization activity.

MINDS: Mid-infrared atomic and molecular hydrogen lines in the inner disk around a low-mass star

Understanding the physical conditions of circumstellar material around young stars is crucial to star and planet formation studies. In particular, very low-mass stars ($M_ < 0.2$ M$_ are interesting sources to characterize as they are known to host a diverse population of rocky planets. Molecular and atomic hydrogen lines can probe the properties of the circumstellar gas. This work aims to measure the mass accretion rate, the accretion luminosity, and more generally the physical conditions of the warm emitting gas in the inner disk of the very low-mass star 2MASS-J16053215-1933159. We investigate the source mid-infrared spectrum for atomic and molecular hydrogen line emission. We present the full James Webb Space Telescope (JWST) Mid-InfraRed Instrument (MIRI) Medium Resolution Spectrometer (MRS) spectrum of the protoplanetary disk around the very low-mass star 2MASS-J16053215-1933159 from the MINDS GTO program, previously shown to be abundant in hydrocarbon molecules. We analyzed the atomic and molecular hydrogen lines in this source by fitting one or multiple Gaussian profiles. We then built a rotational diagram for the H$_2$ lines to constrain the rotational temperature and column density of the gas. Finally, we compared the observed atomic line fluxes to predictions from two standard emission models. We identify five molecular hydrogen pure rotational lines and 16 atomic hydrogen recombination lines in the 5 to 20 mu m spectral range. The spectrum indicates optically thin emission for both species. We use the molecular hydrogen lines to constrain the mass and temperature of the warm emitting gas. We derive a total gas mass of only $2.3 $ M$_ Jup $ and a temperature of 635 K for the warm H$_2$ gas component located in the very inner disk ($r < 0.033$ au), which only accounts for a small fraction of the upper limit for the disk mass from continuum observations (0.2 M$_ Jup $). The HI (7-6) recombination line is used to measure the mass accretion rate ($4.0 $ M$_ $) and luminosity ($3.1 $ L$_ onto the central source. This line falls close to the HI (11-8) line, however at the spectral resolution of JWST MIRI we managed to measure both separately. Previous studies based on Spitzer have measured the combined flux of both lines to measure accretion rates. HI recombination lines can also be used to derive the physical properties of the gas using atomic recombination models. The model predictions of the atomic line relative intensities constrain the atomic hydrogen density to about $ cm$^ $ and temperatures up to 5\,000 K. The JWST-MIRI MRS observations for the very low-mass star 2MASS-J16053215-1933159 reveal a large number of emission lines, many originating from atomic and molecular hydrogen because we are able to look into the disk warm molecular layer. Their analysis constrains the physical properties of the emitting gas and showcases the potential of JWST to deepen our understanding of the physical and chemical structure of protoplanetary disks.