Introduction to Dissociative Adsorption

Strikingly, dissociative adsorption does not occur on step sites with (100) geometry, which suggests that the dissociative adsorption of acetone is limited to Pt(100) terraces featuring a certain minimum “ensemble” number of freely available Pt atoms.

On the metal surface, dissociative adsorption of N2 and H2, and Langmuir–Hinshelwood reactions were also included.

However, HgCl2 could be fixed well on the surface of adsorbent through molecular adsorption or dissociative adsorption.

While the reduction of the support accompanies the reaction, its extent does not directly correlate with activity, highlighting the importance of other properties, such as the dissociative adsorption of water and/or CO2/H2 desorption.

Surface science experiments indicate that dissociative adsorption of water occurs at edges of NiOx nanoislands grown on Au(111) and NiOx-Ni interfaces formed by further depositing metallic Ni layers along the edges of NiOx nanoislands.

Hydrogen desorption and dissociative adsorption on IHs are the rate-determining stages in the heterophase exchange of hydrogen of the gas phase and hydride.

Additionally, it was shown that the existence of vacancy-type defect sites on the surfaces could induce strong and dissociative adsorption (chemisorption) of DMT.

, the dissociative adsorption of N2, requires high temperatures.

The oxidation of primary alcohols is controlled by the oxidative removal of blocking adsorbates, such as CO, formed after the dissociative adsorption of alcohol molecules.

Dissociative adsorption of the Cl molecule on Fe(100) ensues via a modest activation barrier of only 0.

We find the dissociative adsorption of O2 dominating the reactivity of both Zrand B-surfaces, while the dissociation of H2O and CO is weakly active on Zr-terminated surfaces, and even less activated on B-terminated ones.

In situ FTIR experiments indicate that CHx species produced via the dissociative adsorption of propane are the key reaction intermediates, with their hydrogenation to CH4 and/or conversion to formates and, eventually, to CO, being favored over the most active Ni/ZrO2 catalyst.

The electron reservoir of the metallic copper particles is regenerated by the dissociative adsorption and oxidation of H2 on the metal surface.

The performance loss could be attributed to the dissociative adsorption of NO2 on Pt with the formation of NO and its further reduction to N2O via two consecutive electron and proton transfer steps.

Experimental analysis and DFT calculations reveal that the atomically dispersed Cu sites and S vacancies provide additional CO2 adsorption sites, redistribute the local charges and lower the dissociative adsorption energy of CO2, which endows the enhancement on the photocatalytic activity.

Structural properties of TiO2 thin films play a main role in determine the characteristic of the thin films especially their stability and activity, the total pressure has a great influence in determine the crystallinity of the films and the orientation of the facets of their structure, especially the two facet (101) and (001), the enhancing the structure properties will cause to enhance the application efficiency of TiO2 thin films such as the dissociative adsorption of water and the solar cell.

Emphasis is placed on discussing the principles of dissociative adsorption of hydrogen.

The balance of Co0/Co6Mo6C is found to be crucial for the observed reactivity, where Co0 is for CO dissociation and C-C chain growth and Co6Mo6C is highly efficient for CO nondissociative adsorption and CO insertion.

The results showed that two forms of associative adsorption and dissociative adsorption were found on the surface of CaSO4·2H2O and C3A.

This adsorption mechanism suggests that a diffusion transition state can be an adsorption product in the first step of the dissociative adsorption processes.

The geometric structures of the CumPdn clusters are maintained, in general, after molecular or dissociative adsorption of H2, with very few exceptions.

We find that the production of NiO octahedra is attributed to the dissociative adsorption of H2O, whereas the formation of trapezohedral particles is associated with the control of the growth kinetics exerted by ordered salt structures on high-index facets.

, spontaneous dissociation and dissociative adsorption, were conducted through theoretical calculations based on Gibbs free energy change of the H generation reactions.

Regarding the dissociative adsorption, atomistic details reveal two different mechanisms, depending on the water concentration around the NS.

Specifically, enhanced rates of phosgene production are associated with the dissociative adsorption of BrCl(g) that indirectly increases the pool of Cl(ad) available for reaction.

The kinetics of oxygen exchange were considered in the framework of a two-step model including the consecutive steps of dissociative adsorption and the incorporation of oxygen.

Molecular and dissociative adsorption of H2O on both stoichiometric and oxygen deficient surface were simulated.

For dissociative adsorption, the strength of O-H bond is enhanced, and the dissociation process is inhibited by Mo doping due to the electrons polarization in H2O molecule.

This later provides more active oxygen species and also to stabilize the highly dispersed Pdδ+ species which are active for the dissociative adsorption of methane.

In addition, the interaction between Ni and Mo increases the electron cloud density of Mo species and promotes the non-dissociative adsorption and insertion of CO.

The relatively strong Lewis acidity of Ru/TiO2 improved the dissociative adsorption of DCM, accounting for its superior activity.

In addition, Co2C can also be applied as a nondissociative adsorption center for higher alcohol synthesis (HAS) via syngas conversion.

Dissociative adsorption of water is observed, without copper oxidation for exposure up to 3 × 10 6 L.

Our DFT result reveals that BaTiO3(011)-BaTiO is the most active surface for molecular and dissociative adsorption of phosphate ester and carboxylic acid compared to other surfaces.

The influence of nondissociative adsorption of oxygen molecules on the electronic structure of ytterbium films with the thickness of 16 monolayers (6.

These distorted lattice sites can thermodynamically serve as the key reactive centers of dissociative adsorption and catalytic activation for both PMS and pollutant, with high adsorption energy, strong structural activation, and smooth electron transfer.

For anatase TiO2, the {001} crystal facets are the most reactive because they exhibit unique surface characteristics such as visible light responsiveness, dissociative adsorption, efficient charge separation capabilities and photocatalytic selectivity.

This can enhance the dissociative adsorption of CO2 on surface of the WC-cobalt oxide, and at the same time increase the relative proportion of adsorbed oxygen on the catalyst surface, thereby effectively inhibiting the formation of coke.

RHE, though accompanied by the dissociative adsorption of acetol to poisoning CO.

In contrast, dissociative adsorption prefers atop mode configurations.

The resulting NH3 concentration is determined by competition between, on the one hand, dissociative adsorption of ground-state N2 and adsorption of plasma-generated N radical species with subsequent hydrogenation to NH3, and on the other hand, thermal-catalytic decomposition of NH3.

Moreover, the dissociative adsorption of water onto the rutile surface is the main cause for a chemical formation of terminating hydroxyl groups.

The adsorption of H2O on Ni-MgAl2O4(1 1 1) is dissociative adsorption, and the dissociation barrier of toluene on Ni-MgAl2O4(1 1 1) is lowest, which is only 1.

Both physiochemical characterization and DFT calculations revealed that the excellent water resistance property of Li-K-OMS-2 could be attributed to the formation of designed novel non-oxygen vacancy sites for H2O adsorption, which effectively alleviated the catalyst deactivation caused by non-dissociative adsorption of H2O on oxygen vacancies.

OH adspecies, formed by the dissociative adsorption of water on the catalyst surface, were found to distort diacetone alcohol’s hydroxyl functional group toward its carbonyl functional group and facilitate the intramolecular rearrangement of diacetone alcohol to form isobutene.

Governing reaction and activation energies for the dissociative adsorption of hydrogen halides and alkyl halides with a franklinite surface were computed with the DFT + U formalism.

As a result, the H2O2 and H2O molecules are adsorbed on the silica surface by both molecular and dissociative adsorptions, which resulting in the formation of Si-OH bonds.

Both non-dissociative and dissociative adsorption of SO2 were observed, to different relative and absolute coverages, on all surfaces.

Focusing on the activation barrier for C–H bond cleavage during the dissociative adsorption of CH4 as an example, we show that the size and morphology of the supported Ni nanoparticles together with strong Ni-support bonding and charge transfer at the step edge are key to the high catalytic activity.

The band gap is induced owing to production of vacancies, dissociative adsorption of oxygen, subsituational doping and pre-dissociated oxygen adsorption.

From this studies introduction of Be impurities in a single honeycomb ring of graphene has significant impact on the binding and adsorbate-adsorbent interactions which leads to dissociative adsorption of oxygen, favouring the 4e- ORR pathway.

In low-energy irradiation, the effect of irradiation is predominant near the surface, and hydrophilicity is weakened by the increase in carbon adsorption and suppression of dissociative adsorption of water molecules owing to the introduction of oxygen vacancies.

It was found that initial reactions of ORR (dissociative adsorption) are the main rate-determining step (RDS) regardless of operating or sintering temperature, while reactions on LSM surface become the main RDS when the ratio of LSM catalysts has a relatively small proportion.

For dissociative adsorption, a characteristic adsorption form was found, which has many more geometrical and spin isomers than the other adsorption forms.

The dissociative adsorption of N2O on the bare Cu(0 0 1) surface is energetically preferred to the molecular adsorption, using the GGA-PBE functional.

The wavelength- and power-dependent mechanisms of the formation of diverse secondary products, the role of active O2−, h+ and •OH species, and the mechanisms of dissociative adsorption and photodecontamination were fully discussed and found valuable for the development of a remote laser photodecontamination method applicable to diverse CWA-contaminated target areas.

ATR-IR-MES unveiled the dissociative adsorption of BA and the formation of adsorbed transient alkoxy species (C6H5CH2O-) to be key for high catalytic performance.

The CO oxidation on the Pd/SiO2 catalyst has been attributed to the dissociative adsorption of molecular oxygen and the activation of the C-O bond, followed by diffusion of adsorbates at Tig to form CO2.

By comparing the adsorption energies, the Mulliken Populations and the partial density of states (PDOS) for adsorbed atoms at different surface sites, it is concluded that on the ideal AlN surface, MMAl can be stably adsorbed at T4, H3 or Br sites with similar probabilities; DMAlNH2 can be stably adsorbed at Top-Top or 3Top sites, with dissociative adsorption occurring at the latter site.

An aspartic acid molecule undergoes a non-dissociative adsorption on MgAgSb(001).

In this work, dissociative adsorption of methanimine (CH2NH) on the surface of B12N12 and Al12N12 nanoclusters is studied at wB97XD/6-31G(d) computational level.

Oxygen molecules in the presence of DUV light show dissociative adsorption onto the surface resulting a p-type carrier modulation in S-B-TLG devices.

Exposure of Au/CeO2 to pure H218O results in a complete replacement of surface 16O ions by 18O ions as rationalized by dissociative adsorption of H218O in the presence of a surface oxygen vacancy and a subsequent backward reaction restoring lattice oxygen as 18O and releasing H216O.

The formation of higher alcohols require the synergy between active sites with abilities for CO dissociative and non-dissociative adsorption.

In addition, the lowest overpotential presented by Au–Pd/C was associated with its ability to carry the dissociative adsorption of polyalcohols, which was confirmed using ethylene glycol as a simpler polyalcohol than sorbitol.

Regarding the microscopic kinetics, the LH-OS-ND mechanism (Langmuir–Hinshelwood adsorption of reagents on the same type of active sites and non-dissociative adsorption of oxygen) was verified as responsible for the heterogeneous oxidation of toluene.

2O3−δ (BSCF) and La2NiO4+δ the reaction is limited by the apparent rate of dissociative adsorption of O2 molecules at the oxide surface.

The dissociative adsorption of H2 on these two surfaces is barrier-free and highly exothermic, which is beneficial to the RWGS reaction.