Matches in SemOpenAlex for { <https://semopenalex.org/work/W3194653003> ?p ?o ?g. }
- W3194653003 abstract "Abstract To accelerate the discovery of materials through computations and experiments, a well-established protocol closely bridging these methods is required. We introduce a high-throughput screening protocol for the discovery of bimetallic catalysts that replace palladium (Pd), where the similarities in the electronic density of states patterns were employed as a screening descriptor. Using first-principles calculations, we screened 4350 bimetallic alloy structures and proposed eight candidates expected to have catalytic performance comparable to that of Pd. Our experiments demonstrate that four bimetallic catalysts indeed exhibit catalytic properties comparable to those of Pd. Moreover, we discover a bimetallic (Ni-Pt) catalyst that has not yet been reported for H 2 O 2 direct synthesis. In particular, Ni 61 Pt 39 outperforms the prototypical Pd catalyst for the chemical reaction and exhibits a 9.5-fold enhancement in cost-normalized productivity. This protocol provides an opportunity for the catalyst discovery for the replacement or reduction in the use of the platinum-group metals." @default.
- W3194653003 created "2021-08-30" @default.
- W3194653003 creator A5013201243 @default.
- W3194653003 creator A5019055995 @default.
- W3194653003 creator A5022103198 @default.
- W3194653003 creator A5054823408 @default.
- W3194653003 creator A5058478290 @default.
- W3194653003 creator A5065351071 @default.
- W3194653003 creator A5067470445 @default.
- W3194653003 creator A5071614860 @default.
- W3194653003 creator A5076133938 @default.
- W3194653003 creator A5077354256 @default.
- W3194653003 creator A5089136184 @default.
- W3194653003 date "2021-08-20" @default.
- W3194653003 modified "2023-10-16" @default.
- W3194653003 title "High-throughput computational-experimental screening protocol for the discovery of bimetallic catalysts" @default.
- W3194653003 cites W1972243282 @default.
- W3194653003 cites W1972725254 @default.
- W3194653003 cites W1973836541 @default.
- W3194653003 cites W1979544533 @default.
- W3194653003 cites W1989327975 @default.
- W3194653003 cites W1991149034 @default.
- W3194653003 cites W1992985800 @default.
- W3194653003 cites W2003286887 @default.
- W3194653003 cites W2007395042 @default.
- W3194653003 cites W2016366655 @default.
- W3194653003 cites W2020316315 @default.
- W3194653003 cites W2023115593 @default.
- W3194653003 cites W2030517015 @default.
- W3194653003 cites W2060745946 @default.
- W3194653003 cites W2093845955 @default.
- W3194653003 cites W2110534188 @default.
- W3194653003 cites W2113076366 @default.
- W3194653003 cites W2118127872 @default.
- W3194653003 cites W2122427541 @default.
- W3194653003 cites W2152103620 @default.
- W3194653003 cites W2167035995 @default.
- W3194653003 cites W2170608319 @default.
- W3194653003 cites W2234047455 @default.
- W3194653003 cites W2282942319 @default.
- W3194653003 cites W2292668007 @default.
- W3194653003 cites W2313348740 @default.
- W3194653003 cites W2320164150 @default.
- W3194653003 cites W2322232911 @default.
- W3194653003 cites W2323399280 @default.
- W3194653003 cites W2333192667 @default.
- W3194653003 cites W2335649524 @default.
- W3194653003 cites W2403466016 @default.
- W3194653003 cites W2462003543 @default.
- W3194653003 cites W2470199101 @default.
- W3194653003 cites W2518696367 @default.
- W3194653003 cites W2561854106 @default.
- W3194653003 cites W2602640780 @default.
- W3194653003 cites W2790546545 @default.
- W3194653003 cites W2905538171 @default.
- W3194653003 cites W2950812752 @default.
- W3194653003 cites W2967013384 @default.
- W3194653003 cites W2979811583 @default.
- W3194653003 cites W2987957259 @default.
- W3194653003 cites W2990956209 @default.
- W3194653003 doi "https://doi.org/10.1038/s41524-021-00605-6" @default.
- W3194653003 hasPublicationYear "2021" @default.
- W3194653003 type Work @default.
- W3194653003 sameAs 3194653003 @default.
- W3194653003 citedByCount "11" @default.
- W3194653003 countsByYear W31946530032022 @default.
- W3194653003 countsByYear W31946530032023 @default.
- W3194653003 crossrefType "journal-article" @default.
- W3194653003 hasAuthorship W3194653003A5013201243 @default.
- W3194653003 hasAuthorship W3194653003A5019055995 @default.
- W3194653003 hasAuthorship W3194653003A5022103198 @default.
- W3194653003 hasAuthorship W3194653003A5054823408 @default.
- W3194653003 hasAuthorship W3194653003A5058478290 @default.
- W3194653003 hasAuthorship W3194653003A5065351071 @default.
- W3194653003 hasAuthorship W3194653003A5067470445 @default.
- W3194653003 hasAuthorship W3194653003A5071614860 @default.
- W3194653003 hasAuthorship W3194653003A5076133938 @default.
- W3194653003 hasAuthorship W3194653003A5077354256 @default.
- W3194653003 hasAuthorship W3194653003A5089136184 @default.
- W3194653003 hasBestOaLocation W31946530031 @default.
- W3194653003 hasConcept C142724271 @default.
- W3194653003 hasConcept C161790260 @default.
- W3194653003 hasConcept C171250308 @default.
- W3194653003 hasConcept C178790620 @default.
- W3194653003 hasConcept C185592680 @default.
- W3194653003 hasConcept C191897082 @default.
- W3194653003 hasConcept C192562407 @default.
- W3194653003 hasConcept C204787440 @default.
- W3194653003 hasConcept C21951064 @default.
- W3194653003 hasConcept C2780026712 @default.
- W3194653003 hasConcept C2780385302 @default.
- W3194653003 hasConcept C41008148 @default.
- W3194653003 hasConcept C43411465 @default.
- W3194653003 hasConcept C502130503 @default.
- W3194653003 hasConcept C51323132 @default.
- W3194653003 hasConcept C518104683 @default.
- W3194653003 hasConcept C55493867 @default.
- W3194653003 hasConcept C71924100 @default.
- W3194653003 hasConceptScore W3194653003C142724271 @default.
- W3194653003 hasConceptScore W3194653003C161790260 @default.