2022
DOI: 10.1002/adma.202201328
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Obstructed Surface States as the Descriptor for Predicting Catalytic Active Sites in Inorganic Crystalline Materials

Abstract: for the design of highly active catalysts is the identification of the origin of the activity. However, this remains a challenge. [8,9] The activity of a given catalyst is traditionally associated with the properties of its surfaces. Thus, materials with large surface areas, good conductivity, and high mobility are understood to be good catalysts, as they have abundant active sites that favor the adsorption of intermediates and electron transfer in redox reactions. This is the motivation for widely used cataly… Show more

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Cited by 38 publications
(32 citation statements)
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“…As a comparison, 2H-MoS2 single crystals can not drive the oxidation reaction because the (001) basal planes are catalytically inert to electrochemical reactions. 32 As a result, no oxidation peaks are found under the same measurement condition in the presence of DOPA (Fig. S6).…”
Section: Resultsmentioning
confidence: 86%
“…As a comparison, 2H-MoS2 single crystals can not drive the oxidation reaction because the (001) basal planes are catalytically inert to electrochemical reactions. 32 As a result, no oxidation peaks are found under the same measurement condition in the presence of DOPA (Fig. S6).…”
Section: Resultsmentioning
confidence: 86%
“… 44 , 45 . 3D OAL phases have recently been identified in electrides 78 and other stoichiometric insulators 79 , and may also exhibit nontrivial HEND-state dislocation responses. For HEND states that carry chargeless spin, the spinon excitations may be detectable through nonlinear spectroscopy 80 , 81 .…”
Section: Discussionmentioning
confidence: 99%
“…In 2022, Li et al described a new method to identify the location of active centers in a series of inorganic topological crystalline materials with symmetry-protected metallic surface states. 63 In these materials, the obstructed Wannier charge centers are pinned at unoccupied Wyckoff positions. The surfaces with such positions will then show metallic obstructed surface states (OSSs).…”
Section: High Chern Number Topological Catalysts and Catalytic Mechanismmentioning
confidence: 99%