FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W3197655717> ?p ?o ?g. }

• W3197655717 endingPage "151195" @default.
• W3197655717 startingPage "151195" @default.
• W3197655717 abstract "Pt-metal alloys are widely reported catalysts for oxygen reduction reaction (ORR). However, their underlying catalytic reaction kinetics, particularly under catalyst surface defect and practical acidic conditions, have been rarely studied. In this work, ORR reaction kinetics on PtCu (1 1 1) are systematically studied using Density Functional Theory (DFT) analysis. Clean PtCu (1 1 1), defective PtCu (1 1 1)-DF and H atoms covered H-PtCu (1 1 1)-DF models were considered to investigate the effect of surface defects and H coverage on ORR reaction kinetics. In addition, the solvent effect (hydronium) was considered in this work to model a more realistic acidic reaction condition. The results show that defective PtCu (1 1 1)-DF surface is more active than clean PtCu (1 1 1), and ORR reaction proceeds with the peroxyl dissociation pathway on the two clean surfaces. However, when H coverage is considered on the PtCu (1 1 1)-DF surface, the ORR follows the oxygen dissociation pathway. Furthermore, when both H coverage and solvent effect were taken into consideration, the existence of hydronium can effectively facilitate the protonation of OH* and O* thus promoting the ORR reaction. The present study reveals that consideration of acidic conditions is essential in the study of ORR reaction mechanism and activity prediction for Pt-metal alloy catalysts." @default.
• W3197655717 created "2021-09-13" @default.
• W3197655717 creator A5043725286 @default.
• W3197655717 creator A5046850864 @default.
• W3197655717 creator A5069732276 @default.
• W3197655717 creator A5070169953 @default.
• W3197655717 creator A5090783547 @default.
• W3197655717 date "2021-12-01" @default.
• W3197655717 modified "2023-10-18" @default.
• W3197655717 title "Theoretical insights into the oxygen reduction reaction on PtCu (1 1 1): Effects of surface defect and acidic solvent" @default.
• W3197655717 cites W1988504978 @default.
• W3197655717 cites W1990494713 @default.
• W3197655717 cites W1992772968 @default.
• W3197655717 cites W2022956627 @default.
• W3197655717 cites W2039922946 @default.
• W3197655717 cites W2050802634 @default.
• W3197655717 cites W2055878503 @default.
• W3197655717 cites W2063802147 @default.
• W3197655717 cites W2083000304 @default.
• W3197655717 cites W2083920402 @default.
• W3197655717 cites W2122427541 @default.
• W3197655717 cites W2146546128 @default.
• W3197655717 cites W2165571442 @default.
• W3197655717 cites W2167035995 @default.
• W3197655717 cites W2217226131 @default.
• W3197655717 cites W2318730345 @default.
• W3197655717 cites W2322853386 @default.
• W3197655717 cites W2426963837 @default.
• W3197655717 cites W2466927123 @default.
• W3197655717 cites W2542067719 @default.
• W3197655717 cites W2570101839 @default.
• W3197655717 cites W2611010322 @default.
• W3197655717 cites W2783955276 @default.
• W3197655717 cites W2801894566 @default.
• W3197655717 cites W2883311489 @default.
• W3197655717 cites W2902712988 @default.
• W3197655717 cites W2905102214 @default.
• W3197655717 cites W2913313224 @default.
• W3197655717 cites W2923562966 @default.
• W3197655717 cites W2951453265 @default.
• W3197655717 cites W2969586973 @default.
• W3197655717 cites W2971573744 @default.
• W3197655717 cites W2972902758 @default.
• W3197655717 cites W2981164136 @default.
• W3197655717 cites W2983368768 @default.
• W3197655717 cites W2987957259 @default.
• W3197655717 cites W2991739824 @default.
• W3197655717 cites W2994236114 @default.
• W3197655717 cites W2996718247 @default.
• W3197655717 cites W2997372452 @default.
• W3197655717 cites W3004586174 @default.
• W3197655717 cites W3004774428 @default.
• W3197655717 cites W3011934950 @default.
• W3197655717 cites W3018956712 @default.
• W3197655717 cites W3049385843 @default.
• W3197655717 cites W3051746347 @default.
• W3197655717 cites W3082458830 @default.
• W3197655717 cites W3086383652 @default.
• W3197655717 cites W3093708986 @default.
• W3197655717 cites W3096913370 @default.
• W3197655717 cites W3132568078 @default.
• W3197655717 cites W4244689339 @default.
• W3197655717 cites W4376849681 @default.
• W3197655717 doi "https://doi.org/10.1016/j.apsusc.2021.151195" @default.
• W3197655717 hasPublicationYear "2021" @default.
• W3197655717 type Work @default.
• W3197655717 sameAs 3197655717 @default.
• W3197655717 citedByCount "5" @default.
• W3197655717 countsByYear W31976557172022 @default.
• W3197655717 countsByYear W31976557172023 @default.
• W3197655717 crossrefType "journal-article" @default.
• W3197655717 hasAuthorship W3197655717A5043725286 @default.
• W3197655717 hasAuthorship W3197655717A5046850864 @default.
• W3197655717 hasAuthorship W3197655717A5069732276 @default.
• W3197655717 hasAuthorship W3197655717A5070169953 @default.
• W3197655717 hasAuthorship W3197655717A5090783547 @default.
• W3197655717 hasConcept C102931765 @default.
• W3197655717 hasConcept C121332964 @default.
• W3197655717 hasConcept C145148216 @default.
• W3197655717 hasConcept C147597530 @default.
• W3197655717 hasConcept C147789679 @default.
• W3197655717 hasConcept C148898269 @default.
• W3197655717 hasConcept C152365726 @default.
• W3197655717 hasConcept C161790260 @default.
• W3197655717 hasConcept C175113610 @default.
• W3197655717 hasConcept C17525397 @default.
• W3197655717 hasConcept C178790620 @default.
• W3197655717 hasConcept C179104552 @default.
• W3197655717 hasConcept C185592680 @default.
• W3197655717 hasConcept C2780471494 @default.
• W3197655717 hasConcept C2994571290 @default.
• W3197655717 hasConcept C30095370 @default.
• W3197655717 hasConcept C36663273 @default.
• W3197655717 hasConcept C52859227 @default.
• W3197655717 hasConcept C540031477 @default.
• W3197655717 hasConcept C544153396 @default.
• W3197655717 hasConcept C62520636 @default.
• W3197655717 hasConcept C65024703 @default.

• next