FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W4311573453> ?p ?o ?g. }

• W4311573453 endingPage "489" @default.
• W4311573453 startingPage "483" @default.
• W4311573453 abstract "The search for materials with high intrinsic carbon monoxide oxidation reaction (COOR) catalytic activity is critical for enhancing the efficiency of reducing CO contamination. COOR catalysts, however, have long relied heavily on noble metals and CeO2. Herein, in order to search for non-noble COOR catalysts that are more active than CeO2, 18 oxygen-functionalized MBenes with orthorhombic and hexagonal crystal structures, denoted as orth-M2B2O2 and hex-M2B2O2 (M = Ti, V, Cr, Zr, Nb, Mo, Hf, Ta and W), were investigated in terms of their COOR catalytic activity by high-throughput first-principles calculations. Hex-Mo2B2O2, orth-Mo2B2O2, hex-V2B2O2 and hex-Cr2B2O2 were found to be more active than CeO2 and possess structural stability below 1000 K, showing the potential to replace CeO2 as the substrates of COOR catalysts. Moreover, orth-Mo2B2O2, hex-V2B2O2 and hex-Cr2B2O2 exhibit even higher COOR catalytic activity than Pt-CeO2 and Au-CeO2, and are expected to be applied as COOR catalysts directly. Further investigations showed that the formation energy of oxygen vacancies could be used as the descriptor of COOR catalytic activity, which would help to reduce the amount of calculations significantly during the catalyst screening process. This work not only reports a series of 2D materials with high COOR catalytic activity and opens up a new application area for MBenes, but also provides a reliable strategy for highly efficient screening for COOR catalysts." @default.
• W4311573453 created "2022-12-27" @default.
• W4311573453 creator A5040563660 @default.
• W4311573453 creator A5057226383 @default.
• W4311573453 creator A5059875221 @default.
• W4311573453 date "2023-01-01" @default.
• W4311573453 modified "2023-10-18" @default.
• W4311573453 title "New horizons of MBenes: highly active catalysts for the CO oxidation reaction" @default.
• W4311573453 cites W1972791068 @default.
• W4311573453 cites W1979544533 @default.
• W4311573453 cites W1981368803 @default.
• W4311573453 cites W1997865800 @default.
• W4311573453 cites W2000056204 @default.
• W4311573453 cites W2007395042 @default.
• W4311573453 cites W2014451195 @default.
• W4311573453 cites W2017196167 @default.
• W4311573453 cites W2049079467 @default.
• W4311573453 cites W2066801532 @default.
• W4311573453 cites W2076376028 @default.
• W4311573453 cites W2077272434 @default.
• W4311573453 cites W2083222334 @default.
• W4311573453 cites W2094527548 @default.
• W4311573453 cites W2095052969 @default.
• W4311573453 cites W2134716155 @default.
• W4311573453 cites W2135645254 @default.
• W4311573453 cites W2155175869 @default.
• W4311573453 cites W2290833265 @default.
• W4311573453 cites W2322451794 @default.
• W4311573453 cites W2574394697 @default.
• W4311573453 cites W2758779059 @default.
• W4311573453 cites W2765318263 @default.
• W4311573453 cites W2768945949 @default.
• W4311573453 cites W2782004827 @default.
• W4311573453 cites W2787079204 @default.
• W4311573453 cites W2788962282 @default.
• W4311573453 cites W2792024704 @default.
• W4311573453 cites W2793353452 @default.
• W4311573453 cites W2800362088 @default.
• W4311573453 cites W2805452404 @default.
• W4311573453 cites W2888865788 @default.
• W4311573453 cites W2889689560 @default.
• W4311573453 cites W2898062435 @default.
• W4311573453 cites W2944833924 @default.
• W4311573453 cites W2948775140 @default.
• W4311573453 cites W2979666681 @default.
• W4311573453 cites W2982628473 @default.
• W4311573453 cites W2988133977 @default.
• W4311573453 cites W2992407926 @default.
• W4311573453 cites W3005223673 @default.
• W4311573453 cites W3022892760 @default.
• W4311573453 cites W3024365128 @default.
• W4311573453 cites W3044869896 @default.
• W4311573453 cites W3082774535 @default.
• W4311573453 cites W3091293641 @default.
• W4311573453 cites W3103475353 @default.
• W4311573453 cites W3111083819 @default.
• W4311573453 cites W3116788824 @default.
• W4311573453 cites W3150414869 @default.
• W4311573453 cites W3165445810 @default.
• W4311573453 cites W3180890865 @default.
• W4311573453 cites W3190880661 @default.
• W4311573453 cites W3194478052 @default.
• W4311573453 cites W3195306529 @default.
• W4311573453 cites W3198564436 @default.
• W4311573453 cites W4285307937 @default.
• W4311573453 cites W4291007336 @default.
• W4311573453 cites W4292939714 @default.
• W4311573453 doi "https://doi.org/10.1039/d2nr05705k" @default.
• W4311573453 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/36519284" @default.
• W4311573453 hasPublicationYear "2023" @default.
• W4311573453 type Work @default.
• W4311573453 citedByCount "0" @default.
• W4311573453 crossrefType "journal-article" @default.
• W4311573453 hasAuthorship W4311573453A5040563660 @default.
• W4311573453 hasAuthorship W4311573453A5057226383 @default.
• W4311573453 hasAuthorship W4311573453A5059875221 @default.
• W4311573453 hasConcept C121332964 @default.
• W4311573453 hasConcept C127413603 @default.
• W4311573453 hasConcept C1276947 @default.
• W4311573453 hasConcept C161790260 @default.
• W4311573453 hasConcept C171250308 @default.
• W4311573453 hasConcept C178790620 @default.
• W4311573453 hasConcept C185592680 @default.
• W4311573453 hasConcept C192562407 @default.
• W4311573453 hasConcept C21951064 @default.
• W4311573453 hasConcept C29829512 @default.
• W4311573453 hasConcept C2992257854 @default.
• W4311573453 hasConcept C41183919 @default.
• W4311573453 hasConcept C42360764 @default.
• W4311573453 hasConceptScore W4311573453C121332964 @default.
• W4311573453 hasConceptScore W4311573453C127413603 @default.
• W4311573453 hasConceptScore W4311573453C1276947 @default.
• W4311573453 hasConceptScore W4311573453C161790260 @default.
• W4311573453 hasConceptScore W4311573453C171250308 @default.
• W4311573453 hasConceptScore W4311573453C178790620 @default.
• W4311573453 hasConceptScore W4311573453C185592680 @default.
• W4311573453 hasConceptScore W4311573453C192562407 @default.
• W4311573453 hasConceptScore W4311573453C21951064 @default.

• next