Transition metal atom–doped monolayer MoS2 in a proton-exchange membrane electrolyzer

Mo, Jiaying; Wu, Shuming; Lau, Thomas H. M.; Kato, Ryuichi; Suenaga, Kazu; Wu, Tai‐Sing; Soo, Y. L.; Foord, John S.; Tsang, Shik Chi Edman

doi:10.1016/j.mtadv.2019.100020

Cited by 22 publications

(19 citation statements)

References 26 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…It is noted that the similar results, due to the same reason, were also found in Fe, Co, Os, Ni anchored 2H phase of MoS 2 . [26,29,45,46] For the H adsorption, we consider six kinds of positions (as shown in Figure S1, denoted as numbers) as the initial adsorbed position. After geometric optimization, the six initial geometric configurations all eventually evolve into that with H sitting on the Co atop site (Figure 1a).…”

Section: Resultsmentioning

confidence: 99%

“…Up to now, many experiment studies have reported highly stable and highly active single-atom-anchored 2D catalyst. [15,18,19,[26][27][28][29][30] However, there are few reports associated with the essential mechanism of the activity from the perspective of electronic structure in this new system. Essentially understanding the mechanism of the activity can present rational guiding for the design of high-efficiency catalysts by selecting, high-abundance, low-cost metal atoms and 2D supports as building blocks.…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Vertical-orbital band center as an activity descriptor for hydrogen evolution reaction on single-atom-anchored 2D catalysts

Qiao¹,

Yan²,

Jin³

et al. 2021

J. Phys.: Condens. Matter

View full text Add to dashboard Cite

The d-band center descriptor based on the adsorption strength of adsorbate has been widely used in understanding and predicting the catalytic activity in various metal catalysts. However, its applicability is unsure for the single-atom-anchored two-dimensional (2D) catalysts. Here, taking the hydrogen (H) adsorption on the single-atom-anchored 2D basal plane as example, we examine the influence of orbitals interaction on the bond strength of hydrogen adsorption. We find that the adsorption of H is formed mainly via the hybridization between the 1s orbital of H and the vertical d z2 orbital of anchored atoms. The other four projected d orbitals (d xy /d x2-y2 , d xz /d yz ) have no contribution to the H chemical bond. There is an explicit linear relation between the d z2 -bandcenter and the H bond strength. The d z2 -band center is proposed as an activity descriptor for hydrogen evolution reaction (HER). We demonstrate that the d z2 -band center is valid for the single-atom active sites on a single facet, such as the basal plane of 2D nanosheets. For the surface with multiple facets, such as the surface of three-dimensional (3D) polyhedral nanoparticles, the d-band center is more suitable.

show abstract

Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Vertical-orbital band center as an activity descriptor for hydrogen evolution reaction on single-atom-anchored 2D catalysts

Qiao¹,

Yan²,

Jin³

et al. 2021

J. Phys.: Condens. Matter

View full text Add to dashboard Cite

show abstract

“…57 In situ HAADF-STEM is an approach to characterize the dispersion state of the active sites and visualize the dynamics of SACs under reaction atmosphere. 41,[57][58][59][60][61][62][63] For instance, Li et al visualized the transformation of noble metal particles (Pd, Pt, and Au) into singly dispersed atoms at a temperature above 900 C in an inert atmosphere via in situ HAADF-STEM (Fig. 8a and b are the images for Pt NPs before and aer introducing heat and inert atmosphere into the HAADF-STEM chamber).…”

Section: High Angle Annular Dark Eld Scanning Transmission Electron Microscopymentioning

confidence: 99%

Techniques for the characterization of single atom catalysts

Wang

Djitcheu

et al. 2022

RSC Adv.

View full text Add to dashboard Cite

show abstract

“…The single atom doped polar MoS2 monolayers were also found to exhibit promising performances in HER and PEM electrolyzer. [49][50][51] Likewise, unique properties are observed on using layered double hydroxides (LDHs), which are welldefined materials with polar layered structures along their main crystallographic [100] direction.…”

Section: Fast Oxygen Mobility Of Faceted Ceo2 Nanomaterialsmentioning

confidence: 99%

Unusual Catalytic Properties of High-Energetic-Facet Polar Metal Oxides

Tsang

2020

Acc. Chem. Res.

View full text Add to dashboard Cite

Conspectus: Heterogeneous catalysis is an area of great importance not only in chemical industries, but also in energy conversion and environmental technologies. It is well established that specific surface morphology and structure of solid catalysts exert remarkable effects on catalytic performances, since most physical and chemical processes take place on the surface during catalytic reactions. Different from the widely studied faceted metallic nanoparticles, metal oxides give more complicated structures and surface features. Great progress has been achieved in and layered double hydroxides (LDHs) will also be briefly discussed about their application in the facet-dependent catalysis studies.

show abstract

Transition metal atom–doped monolayer MoS2 in a proton-exchange membrane electrolyzer

Cited by 22 publications

References 26 publications

Vertical-orbital band center as an activity descriptor for hydrogen evolution reaction on single-atom-anchored 2D catalysts

Vertical-orbital band center as an activity descriptor for hydrogen evolution reaction on single-atom-anchored 2D catalysts

Techniques for the characterization of single atom catalysts

Unusual Catalytic Properties of High-Energetic-Facet Polar Metal Oxides

Contact Info

Product

Resources

About