Revealing the interfacial phenomenon of metal-hydride formation and spillover effect on C48H16 sheet by platinum metal catalyst (Pt (n=1-4)) for hydrogen storage enhancement

Subramani, Mohanapriya; Arumugam, Deepak; Shankar, Ravi

doi:10.1016/j.ijhydene.2022.10.220

Cited by 12 publications

(3 citation statements)

References 55 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…As shown in Figure 2b, the substrate is covered with micropores, which is the main reason for methane combustion. The inner walls of the pore are modified with catalysts, such as platinum and palladium, to form a spill-over effect [25] between them and Al 2 O 3 ; here, the wall surface is also a reaction occasion. spill-over effect [25] between them and Al2O3; here, the wall surface is also a reaction occasion.…”

Section: Physical Model and Working Mechanismmentioning

confidence: 99%

“…The inner walls of the pore are modified with catalysts, such as platinum and palladium, to form a spill-over effect [25] between them and Al 2 O 3 ; here, the wall surface is also a reaction occasion. spill-over effect [25] between them and Al2O3; here, the wall surface is also a reaction occasion. Figure 2c presents a 3D model of the oriented ceramic array hole, which visually shows its basic structure and the distribution of various substances.…”

Section: Physical Model and Working Mechanismmentioning

confidence: 99%

See 1 more Smart Citation

Numerical Simulation of Catalytic Methane Combustion in Al2O3 Directional Nanotubes Modified by Pt and Pd Catalyst

Shen

Zhou²,

Liu

et al. 2023

Applied Sciences

View full text Add to dashboard Cite

“Blind holes” are the main reasons for the reduced performance of microgas sensor carriers. To improve the “blind hole” of catalytic combustion methane sensors and therefore, their thermal stability, this study presents a numerical simulation of the catalytic combustion in an Al2O3− oriented ceramic array involving porous microthermal plates. A three-visualization model of the sensor is established using the FLUENT software, and the simulation results are systematically analyzed based on the dynamics and thermodynamic mechanism of the microgas sensor. The results show that the regularity of the surface reaction presents a circular distribution, with the center line of the channel serving as the axis symmetry. The total reaction velocity in the array hole increases gradually from the inlet to the outlet. The flow velocity at the inlet should be controlled at more than 1 × 10−8 m/s, which is more accurate compared with the concept of “uniform velocity” in previous studies. The optimum pore size at the inlet should be 150 nm, and the inner pore size of the wall should be slightly higher than 300 nm, which is a more careful division compared with previous pore-size studies. The efficient reaction position is from the inlet to the quarter of the hole. The simulation results make up for the deficiencies in the analysis of the process parameters of the methane sensor carrier array hole and the internal reaction change process, as well as provide innovative comments on the sensor structure design. Through digital simulations, the limitations associated with the experiments can be avoided, the theoretical study can be improved, theoretical support can be provided for experiments related to the improvement of thermal stability, the predictability of experiments can be improved, and the feasibility of the research proposal can be verified. These steps are important for the improvement of the “blind hole” problem of catalytic combustion methane sensors.

show abstract

Section: Physical Model and Working Mechanismmentioning

confidence: 99%

Section: Physical Model and Working Mechanismmentioning

confidence: 99%

Numerical Simulation of Catalytic Methane Combustion in Al2O3 Directional Nanotubes Modified by Pt and Pd Catalyst

Shen

Zhou²,

Liu

et al. 2023

Applied Sciences

View full text Add to dashboard Cite

show abstract

“…In these processes, mono-and bimetallic catalysts based on d-element metals, including platinum (Pt) and platinum-vanadium (Pt/V) catalysts, have been widely used [19][20][21][22][23]. The mechanism of the interaction of hydrogen molecules with the metal surface (or individual metal clusters) has been investigated in a number of studies [24][25][26][27][28]. Usually, this process involves dissociative adsorption of H 2 with the cleavage of H-H bonds and the formation of M-H bonds [29][30][31][32][33].…”

Section: Introductionmentioning

confidence: 99%

Revealing the Minimum Energy Pathways for Formamide Hydrogenation Reactions in the Presence of Platinum and Platinum–Vanadium Clusters: A Quantum Chemical DFT/Nudged Elastic Band Study

Panina,

Klyukin,

Buslaeva

et al. 2023

Inorganics

View full text Add to dashboard Cite

A detailed study on the stages of catalytic reactions involving platinum and platinum-vanadium clusters has been carried out. Minimum energy pathways (MEP) of reactions have been constructed via the DFT/PBE0/def2tzvp method using NEB functional and optimized structures, and points of minima and transition states have been calculated. A two-step process for the conversion of formamide to methylamine under the action of H2 has been considered as a test reaction. The energy barriers of this reaction, not previously described in the literature, have been evaluated. It has been shown that the main changes in the structural characteristics of the reagents, as well as the migration of single H atoms from one metal center of clusters to another or to an organic substrate, are initiated at the molecular level by shifts corresponding to the vectors of normal vibrations of systems in transition states.

show abstract

Gasification Reaction on CeO₂(111) and Effects on the Structural and Electronic Properties of Adsorption Molecules

James Rubinsin,

Timmiati,

Lim

et al. 2024

Chem Eng & Technol

View full text Add to dashboard Cite

Producing hydrogen (H2) from biomass gasification offers exceptional benefits regarding renewable energy sources, zero‐carbon emission, cost‐effective processes, and high efficiency. The addition of catalysts to biomass gasification could accelerate the process and minimize the formation of coke. However, the catalyst deactivation caused by carbon deposition, poisoning, and sintering is still a significant problem in the gasification process. Therefore, achieving sustainable exploitation of the renewable natural resource of biomass requires substantial development and optimization of the present gasification process. The efficiency of gasification might decrease because of such a process. In this study, CeO2(111) is chosen to investigate the analysis of adsorption molecules during catalytic gasification using the density functional theory method. Three catalyst models, CeO2(111), Zr‐CeO2(111), and Ni‐CeO2(111), have been studied in this work in terms of structural, electronic, and adsorption molecule properties. The structural and electronic properties of the modified catalyst model show the ligand and strain effect on the alloy, with the addition of Zr and Ni as second metals promoting the adsorption capability. Searching for active sites is also carried out by adsorption of selected atoms and molecules and used as a preliminary study to find possible active sites for gasification reactions. The Zr‐CeO2(111) and Ni‐CeO2 catalysts exhibit better adsorption ability on atomics and molecules. The Zr and Ni metals are suitable second metal candidates for the catalyst to proceed with the gasification reaction and simultaneously reduce carbon deposition, poisoning, and sintering problems.

show abstract

Revealing the interfacial phenomenon of metal-hydride formation and spillover effect on C48H16 sheet by platinum metal catalyst (Pt (n=1-4)) for hydrogen storage enhancement

Cited by 12 publications

References 55 publications

Numerical Simulation of Catalytic Methane Combustion in Al2O3 Directional Nanotubes Modified by Pt and Pd Catalyst

Numerical Simulation of Catalytic Methane Combustion in Al2O3 Directional Nanotubes Modified by Pt and Pd Catalyst

Revealing the Minimum Energy Pathways for Formamide Hydrogenation Reactions in the Presence of Platinum and Platinum–Vanadium Clusters: A Quantum Chemical DFT/Nudged Elastic Band Study

Gasification Reaction on CeO₂(111) and Effects on the Structural and Electronic Properties of Adsorption Molecules

Contact Info

Product

Resources

About

Revealing the interfacial phenomenon of metal-hydride formation and spillover effect on C48H16 sheet by platinum metal catalyst (Pt (n=1-4)) for hydrogen storage enhancement

Cited by 12 publications

References 55 publications

Numerical Simulation of Catalytic Methane Combustion in Al2O3 Directional Nanotubes Modified by Pt and Pd Catalyst

Numerical Simulation of Catalytic Methane Combustion in Al2O3 Directional Nanotubes Modified by Pt and Pd Catalyst

Revealing the Minimum Energy Pathways for Formamide Hydrogenation Reactions in the Presence of Platinum and Platinum–Vanadium Clusters: A Quantum Chemical DFT/Nudged Elastic Band Study

Gasification Reaction on CeO2(111) and Effects on the Structural and Electronic Properties of Adsorption Molecules

Contact Info

Product

Resources

About

Gasification Reaction on CeO₂(111) and Effects on the Structural and Electronic Properties of Adsorption Molecules