Introduction to H2 Adsorption

Germanium carbide monolayers (GeC-MLs) can offer attractive opportunities for H2 adsorption compared to graphene.

The reaction proceeded either with Eley–Rideal (E-R) mechanism, starting with C2H2 adsorption after that HCl activation, product formation, or with Langmuir–Hinshelwood (L-H) method, starting with co-adsorption of C2H2 and HCl.

On this ensemble, O2 activation is favored while CO adsorption is weakened and H2 adsorption is inhibited, which facilitate the preferential oxidation of CO rather than H2, thus enabling a broad temperature window for 100 % selective CO removal.

2 eV) on high-performance adsorbent, indicating that the porosity and heteroatom dopant would be the important role for the H2 adsorption.

The MOFs has a high C2H2 adsorption capacity (96.

The N2, CO2, and H2 adsorption isotherm results indicated remarkably developed micropore volumes (from 0.

The acetylene hydrogenation reaction over FeO, Fe2O3 and Fe3O4 clusters are theoretically investigated, via C2H2 adsorption, approach of molecular H2 to cluster, H2 dissociation on Fe O bond, and the sequential addition reaction of H atom.

Both Ni-decorated SV phosphorene systems have H2 adsorption energies more than 3 times than that of defective phosphorene, with values between −0.

A precise steric design of channel pores using an amino group as an additional interacting site enabled the synergetic increase in CO2 adsorption while suppressing the C2H2 adsorption.

Emphasis was placed on the differences in CO2 and H2 adsorption capacity and strength due to the introduction of the modifiers, with a focus on the influence of these properties on methanol production.

Kinetic analysis and physicochemical characterization shows the electron density of Ni to increase with increasing Ni2P size, enhancing in turn the H2 adsorption strength.

Experimental results confirmed theoretical calculations; so that TiO2 had the highest efficiency of C2H2 adsorption (71%), while ZnO and CNTs could adsorb acetylene by 64% and 17%, respectively.

In spite of these advantages, H2 adsorption studies of dihydrogen complexes in the solid state are scarce.

However, the preferred adsorption of crotonaldehyde on the Ir-MoOx interface alleviated the suppression of H2 adsorption, which was another reason for the higher activity.

The CO and H2 adsorption capacities and reducibility were optimal on the catalyst containing 1.

In this paper, architecture, chemical and structural features are used to analyze the C2H2 adsorption performance of the MOFs.

H2 adsorption abilities of ZrO2 surfaces are in order: [m-ZrO2(111) + VO] > [t-ZrO2(101) + VO] > c-ZrO2(111) > m-ZrO2(111) > [c-ZrO2(111) + VO] > t-ZrO2(101).

The calculation results of H2 adsorption show that Li/VN-C3N has the best adsorption performance, and the average adsorption energy of single H2 is -0.

The introduction of Fe into Ni/Al2O3 improved the H2 adsorption capacity and also changed the acidic/basic sites, which are beneficial for the formation of HCPN.

The preference for H2 adsorption and splitting between Pt and TiO2 is established by DFT calculations.

H2 adsorption-desorption cycles up to 14 MPa showed irreversible deformation of both HCP and HCP-GO materials, which calls into question their application for hydrogen adsorption at pressures above 4 MPa.

Here we report an in situ UV–vis spectroscopy study of O2 and H2 adsorption on small gold nanoparticles supported on SiO2, Al2O3, ZrO2, ZnO, and TiO2 P-25 at high temperature which provides insights into gold adsorption and active sites.

After this, by analyzing the properties of H2 adsorption and dissociation, we found unsaturated metal sites in W-MOF-74 and Os-MOF-74 had distinctive ability for H2 dissociation and CO2 activation.

5 kJ mol−1 for CO2 methanation due to the small Ni particle size and enhanced CO2 and H2 adsorption property.

Using DFT (density function theory) calculations, Cu exhibited an active site for C3H6 and C2H2 adsorption, and CO2 could react as an inhibitor in the adsorption process.

Batch adsorption experimental data well fitted the Freundlich isotherm model, which revealed multilayer adsorption of Cs+ and Sr2+ ions onto heterogeneous -OH, -F, -O, and -NH2 adsorption sites of Ti3C2Tx/POSS-NH2 with different energies.

Instead, numerical simulations of the proposed kinetic model suggest that the H2 adsorption process plays a decisive role in reproducing the Arrhenius plots.

These characteristics make easy bromate and H2 adsorption on the active sites and subsequent reaction, thus resulting in a better activity.

59 wt % H2 adsorption at 1 bar/77 K with interesting N2-phobia down to 0.

In addition, introducing GE into 5A promotes hydrogen adsorption and D2/H2 adsorption ratio.

The obtained results reveal that the C2H2 adsorption energy on the Te-decorated graphene sheet is higher than CO2, which could be corresponded to nonmetal tellurium sensitivity on the modified graphene surface.

Therefore, catalysts with smaller NiO/Ni grains sizes, higher metallic Ni active surface areas can be achieved, as evidenced by XRD and H2 adsorption-desorption measurements.

6 at 298 K, respectively, revealing its potential application for the selective C2H2 adsorption.

According to the values of isosteric enthalpy of adsorption, H2 adsorption behaviors of the UiO-67-bpy-M were strongly dependent on the metal species, so that the isosteric heats of H2 adsorption for these MOFs were in the range 0.

H2 adsorption is thermodynamically favorable on B6H6Ti at ambient conditions, whereas it is unfavorable on B6H6Li and B6H6Be complexes.

Replacing alkali metal atoms by superalkalis also offers more spaces for H2 adsorption.

Furthermore, C2H2 adsorption dynamics can be monitored in real time by tracking the fluorescence wavelength changes of SPOC-SQ framework.

The incorporation of low amounts of Ru into Ni-based catalysts decreased particle size and improved the reducibility of NiO as well as the H2 adsorption capacity.

The H2 adsorption isotherm at 77 K exhibited stable uptake of 1.

A combination of modulated self-assembly and grand canonical Monte Carlo simulations are used to optimise the porosity of GUF-1; H2 adsorption isotherms reveal a very high Qst for H2 of 7.

01), that H2 adsorption energy (−0.

In this work the H2 adsorption at a Cu(i)-SSZ-13 exchanged zeolite was theoretically investigated.

A uniform solid product layer normally assumed in the shrinking-core model cannot predict the kinetic transition behavior of the H2 adsorption reactions.

The reasonably high C2H6 and C2H2 adsorption capacity, ultrahigh structural stability, and excellent separation performance rendered these materials good candidates for C2H4 purification from C2H2/C2H6/C2H4 mixtures in industry.

SAPT2 calculations confirmed that induction and electrostatic interactions play the major role for H2 adsorption of the investigated systems, whereas London dispersion contributes to Ead moderately only in the cases of large number of hydrogen molecules adsorbed.

The H2 adsorption results indicate that six H2 can be adsorbed by a Ca atom with the average adsorption energy slightly larger than 0.

Computed binding energies for H2 adsorption in the fully activated framework are nearly independent of H2 loading and adsorption position.

Experimental data of CH4 and H2 adsorption were treated by the Langmuir equation.

Palladium is widely used as a hydrogen-sensing material owing to its high affinity for H2 adsorption at room temperature.

Two porous polymers, namely COP-9 and COP-10, were characterized with BET, TGA and FTIR to evaluate the physical properties of studied porous polymers and then were tested for CO2, N2 and H2 adsorption both at low and high pressures.

On the other hand, the H2 adsorption on the Li/TG is remarkably decreased by applying the negative EFs to the Li/TG.

The careful tuning of the NDC content opens a way for controlled alteration of the sorption properties of the resulting material as testified by the H2-adsorption experiments, showing that the relative ranking of the materials in H2 adsorption is different in different equilibrium-pressure ranges: at low pressures, 100NDC is the most efficient sample, while with increasing pressure, its relative performance progressively declines; at high pressures, the ranking follows the BDC content, reflecting the larger internal pore volume available in the MOFs with a higher fraction of smaller linkers.

For the H2 adsorption, the Coulomb attraction between H2 molecules (negatively charged) and Sc atoms (positively charged) also played a critical role.

An investigation of H2 adsorption on Rh and Ti metals dimers on pyridinic and pyrrolic N-doped graphene was also performed.

The CO2 and H2 adsorption capacities are inversely associated with the adsorption temperature, and a larger adsorption heat does not mean a higher adsorption capacity.

A balanced activity for C2H2 adsorption and HCl activation is required to improve catalytic performance and too strong binding of C2H2 hinders the followed steps on the pathway and cause large barrier.

H2 adsorption isotherms exhibited, at low pressures, higher H2 uptakes for the fluorine functionalised material.

Different facets and pre-adsorbed K did not show obvious effects on the H2 adsorption energy.

Despite intensive research efforts, the nature of the active sites for O2 and H2 adsorption/dissociation by supported gold nanoparticles (NPs) is still an unresolved issue in heterogeneous catalysis.

2-C electrodes promotes a positive effect, which was confirmed by the appearance of a broad peak in the region of H2 adsorption/desorption, suggesting that the H2 adsorption/desorption processes on the surface of catalyst were favored.

Pristine GY and more stable structures of Al doped, N doped and Al-N co-doped GY were examined for H2 adsorption.

Also, this site is the best site for H2 adsorption onto K-decorated graphyne with Edas of −0.

Structures and stabilities of H2 adsorption to CuRg (Rg = He-Kr) cation I and II series are performed at CCSD(T) theoretical level with extended basis sets.

The new functional material was employed for H2 adsorption and the results indicated a visible improvement of the H2 capacity retention.

Hirshfeld charge analysis shows the charge transfer mechanism during H2 adsorption.

The well-defined [email protected] shows remarkably improved thermodynamics and kinetics for H2 adsorption and desorption.

Palladium oxide (PdO) nanoparticles of size ranging from 30 to 35 nm have been successfully attached with uniform 2D network of reduced graphene oxide (rGO) sheets which offers a large surface area for H2 adsorption.

The thermodynamic state of H2 adsorbed on Pt in the aqueous phase was determined by kinetic analysis of H2 reacting with D2 O to HDO, HD, and D2 , and by DFT-based ab initio molecular dynamics simulations of H2 adsorption on Pt(111), Pt(110), and Pt nanoparticles.

H2 storage capacities of these Cu(I)-exchanged zeolites were investigated at 323 K along with their differential heat of H2 adsorption using adsorption calorimetry.

The electronic properties of SWCNTs are independent of H2 adsorption.