A promising and new single-atom catalyst for CO oxidation: Si-embedded MoS2 monolayer

Esrafili, Mehdi D.; Heydari, Safa

doi:10.1016/j.jpcs.2019.109123

Cited by 18 publications

(8 citation statements)

References 84 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…According to the comparison of the RDS energy barrier in Figure c, the CO oxidation activity of the Al–MoS 2 system is even higher than that of graphene based SACs. Similarly, single Si atoms substituting S atoms in MoS 2 were calculated to be effective for boosting CO oxidation as well . As shown in the PDOS spectra of O 2 , CO, and Si (Figure d–f), the Si-3p and CO/O 2 -2π* states intensively hybridize with each other above the Fermi level, reflecting the strong coadsorption trend of CO and O 2 .…”

Section: Applications Of 2d-tmd-supported Sacsmentioning

confidence: 92%

Single-Atom Engineering to Ignite 2D Transition Metal Dichalcogenide Based Catalysis: Fundamentals, Progress, and Beyond

et al. 2021

View full text Add to dashboard Cite

Single-atom catalysis has been recognized as a pivotal milestone in the development history of heterogeneous catalysis by virtue of its superior catalytic performance, ultrahigh atomic utilization, and well-defined structure. Beyond single-atom protrusions, two more motifs of single-atom substitutions and single-atom vacancies along with synergistic single-atom motif assemblies have been progressively developed to enrich the single-atom family. On the other hand, besides traditional carbon material based substrates, a wide variety of 2D transitional metal dichalcogenides (TMDs) have been emerging as a promising platform for single-atom catalysis owing to their diverse elemental compositions, variable crystal structures, flexible electronic structures, and intrinsic activities toward many catalytic reactions. Such substantial expansion of both single-atom motifs and substrates provides an enriched toolbox to further optimize the geometric and electronic structures for pushing the performance limit. Concomitantly, higher requirements have been put forward for synthetic and characterization techniques with related technical bottlenecks being continuously conquered. Furthermore, this burgeoning single-atom catalyst (SAC) system has triggered serial scientific issues about their changeable single atom−2D substrate interaction, ambiguous synergistic effects of various atomic assemblies, as well as dynamic structure−performance correlations, all of which necessitate further clarification and comprehensive summary. In this context, this Review aims to summarize and critically discuss the single-atom engineering development in the whole field of 2D TMD based catalysis covering their evolution history, synthetic methodologies, characterization techniques, catalytic applications, and dynamic structure−performance correlations. In situ characterization techniques are highlighted regarding their critical roles in real-time detection of SAC reconstruction and reaction pathway evolution, thus shedding light on lifetime dynamic structure−performance correlations which lay a solid theoretical foundation for the whole catalytic field, especially for SACs.

show abstract

Section: Applications Of 2d-tmd-supported Sacsmentioning

confidence: 92%

Single-Atom Engineering to Ignite 2D Transition Metal Dichalcogenide Based Catalysis: Fundamentals, Progress, and Beyond

et al. 2021

View full text Add to dashboard Cite

show abstract

“…Ma and coworkers synthesized atomically dispersed Pt/MoN and Pt/α-MoC with distinct coordination environment of Pt (Figure 21e). 286 XAS analysis confirmed that Pt atoms were coordinated with N atoms in Pt/MoN but with Mo atoms in Pt/α-MoC, leading to an entirely different performance in ORR. The Pt mass activity of Pt/MoN in ORR was 15 times higher than that of Pt/α-MoC.…”

Section: Atomically Dispersed Metal Atoms On Transition Metal Dichalc...mentioning

confidence: 95%

“…Coordination environment is important to the catalytic performance of a MXene-supported ADCs too. Ma and co-workers synthesized atomically dispersed Pt/MoN and Pt/α-MoC with distinct coordination environment of Pt (Figure e) . XAS analysis confirmed that Pt atoms were coordinated with N atoms in Pt/MoN but with Mo atoms in Pt/α-MoC, leading to an entirely different performance in ORR.…”

Section: Atomically Dispersed Metal Atoms On Other Metal-containing I...mentioning

confidence: 97%

“…During the past several years, a wide range of transition metal atoms have been successfully doped into TMDs as isolated atoms. Some examples are Pt 1 /MoS 2 , − Pd 1 /MoS 2 , Co 1 /MoS 2 , ,,, Ru 1 /MoS 2 , Rh 1 /MoS 2 , Ni 1 /MoS 2 , ,− Si 1 /MoS 2 , Cr 1 /MoS 2 , V/MoS 2 , Pt 1 /CoSe 2 , , Co-M-S, and Cu 1 /MoS 2 …”

Section: Atomically Dispersed Metal Atoms On Other Metal-containing I...mentioning

confidence: 99%

See 1 more Smart Citation

Surface Coordination Chemistry of Atomically Dispersed Metal Catalysts

et al. 2020

View full text Add to dashboard Cite

Atomically dispersed metal catalysts (ADCs), as an emerging class of heterogeneous catalysts, have been widely investigated during the past two decades. The atomic dispersion nature of the catalytic metal centers makes them an ideal system for bridging homogeneous and heterogeneous metal catalysts. The recent rapid development of new synthetic strategies has led to the explosive growth of ADCs with a wide spectrum of metal atoms dispersed on supports of different chemical compositions and natures. The availability of diverse ADCs creates a powerful materials platform for investigating mechanisms of complicated heterogeneous catalysis at the atomic levels. Considering most dispersed metal atoms on ADCs are coordinated by the donors from supports, this review will demonstrate how the surface coordination chemistry plays an important role in determining the catalytic performance of ADCs. This review will start from the link between coordination chemistry and heterogeneous catalysis. After the brief description on the advantages and limitations of common structure characterization methods in determining the coordination structure of ADCs, the surface coordination chemistry of ADCs on different types of supports will be discussed. We will mainly illustrate how the local and vicinal coordination species on different support systems act together with the dispersed catalytic metal center to determine the catalytic activity, selectivity, and stability of ADCs. The dynamic coordination structure change of ADCs in catalysis will be highlighted. At the end of the review, personal perspectives on the further development of the field of ADCs will be provided.

show abstract

“…It is identified to exhibit a high in-plane Young’s modulus of 270 ± 100 GPa and high in-plane strength comparable to that of stainless steel. As a result, it possesses important practical applications, from conventional applications, for example, lubricant and catalysis, to next-generation device systems, such as field-effect transistors, phototransistors, optoelectronics, − and mechanically flexible electronics. ,− …”

Section: Introductionmentioning

confidence: 99%

Strengthening and Weakening by Dislocations in Monolayer MoS₂

Liu

Lin

et al. 2021

Chem. Mater.

View full text Add to dashboard Cite

Dislocations govern the properties of crystals. Yet, how pentagon–heptagon (5|7) pairs in grain boundaries (GBs) affect the mechanical properties of MoS2 remains poorly known. Using atomistic simulations and the continuum disclination dipole model, we show that depending on the tilt angle and 5|7 dislocation arrangement, MoS2 GB strength can be enhanced or reduced with the tilt angle. For zigzag-tilt GBs primarily composed of Mo5|7 + S5|7 dislocations, GB strength monotonically increases as the square of the tilt angle. For armchair-tilt GBs with Mo5|7 or S5|7 dislocations, however, the trend of GB strength breaks down, as dislocations are unevenly spaced. Moreover, mechanical failure initiates at the bond shared by 5|7 rings, in contrast to graphene in which failure occurs at the bond shared by 6|7 rings. This work provides new insights into the mechanical design of synthetic transition metal dichalcogenide crystals via dislocation engineering.

show abstract

A promising and new single-atom catalyst for CO oxidation: Si-embedded MoS2 monolayer

Cited by 18 publications

References 84 publications

Single-Atom Engineering to Ignite 2D Transition Metal Dichalcogenide Based Catalysis: Fundamentals, Progress, and Beyond

Single-Atom Engineering to Ignite 2D Transition Metal Dichalcogenide Based Catalysis: Fundamentals, Progress, and Beyond

Surface Coordination Chemistry of Atomically Dispersed Metal Catalysts

Strengthening and Weakening by Dislocations in Monolayer MoS₂

Contact Info

Product

Resources

About

A promising and new single-atom catalyst for CO oxidation: Si-embedded MoS2 monolayer

Cited by 18 publications

References 84 publications

Single-Atom Engineering to Ignite 2D Transition Metal Dichalcogenide Based Catalysis: Fundamentals, Progress, and Beyond

Single-Atom Engineering to Ignite 2D Transition Metal Dichalcogenide Based Catalysis: Fundamentals, Progress, and Beyond

Surface Coordination Chemistry of Atomically Dispersed Metal Catalysts

Strengthening and Weakening by Dislocations in Monolayer MoS2

Contact Info

Product

Resources

About

Strengthening and Weakening by Dislocations in Monolayer MoS₂