Matches in SemOpenAlex for { <https://semopenalex.org/work/W2999476592> ?p ?o ?g. }
Showing items 1 to 85 of
85
with 100 items per page.
- W2999476592 abstract "Electrochemical reactions depend on the electrochemical interface; between the catalytic surfaces and the electrolytes. To control and advance electrochemical reactions there is a need to develop realistic simulation models of the electrochemical interface to understand the interface from an atomistic point-of-view. Here we present a method for obtaining thermodynamic realistic interface structures, a procedure to derive specific coverages and to obtain ab initio simulated cyclic voltammograms. As a case study, the method and procedure is applied in a matrix study of three Cu facets in three different electrolyte. The results are validated by a direct comparison with experimental cyclic voltammograms. The alkaline (NaOH) electrolyte CV are described by H* and OH*, while neutral (KHCO3) the CO3* species are present and in acidic (KCl) the Cl* species dominate. An almost one-to-one mapping is observed from simulation to experiments giving an atomistic understanding of the interface structure of the Cu facets. The strength of atomistic understanding the interface at electrolyte conditions will allow realistic investigations of electrochemical reactions in future studies." @default.
- W2999476592 created "2020-01-23" @default.
- W2999476592 creator A5007728343 @default.
- W2999476592 creator A5026837841 @default.
- W2999476592 creator A5035773702 @default.
- W2999476592 creator A5036960935 @default.
- W2999476592 creator A5039666189 @default.
- W2999476592 creator A5058030839 @default.
- W2999476592 creator A5061339044 @default.
- W2999476592 creator A5065326930 @default.
- W2999476592 creator A5083668074 @default.
- W2999476592 date "2020-01-01" @default.
- W2999476592 modified "2023-09-23" @default.
- W2999476592 title "Ab Initio Cyclic Voltammetry on Cu(111), Cu(100) and Cu(110) in Acidic, Neutral and Alkaline Solutions" @default.
- W2999476592 hasPublicationYear "2020" @default.
- W2999476592 type Work @default.
- W2999476592 sameAs 2999476592 @default.
- W2999476592 citedByCount "0" @default.
- W2999476592 crossrefType "posted-content" @default.
- W2999476592 hasAuthorship W2999476592A5007728343 @default.
- W2999476592 hasAuthorship W2999476592A5026837841 @default.
- W2999476592 hasAuthorship W2999476592A5035773702 @default.
- W2999476592 hasAuthorship W2999476592A5036960935 @default.
- W2999476592 hasAuthorship W2999476592A5039666189 @default.
- W2999476592 hasAuthorship W2999476592A5058030839 @default.
- W2999476592 hasAuthorship W2999476592A5061339044 @default.
- W2999476592 hasAuthorship W2999476592A5065326930 @default.
- W2999476592 hasAuthorship W2999476592A5083668074 @default.
- W2999476592 hasConcept C113843644 @default.
- W2999476592 hasConcept C147789679 @default.
- W2999476592 hasConcept C159467904 @default.
- W2999476592 hasConcept C17525397 @default.
- W2999476592 hasConcept C178790620 @default.
- W2999476592 hasConcept C179104552 @default.
- W2999476592 hasConcept C184651966 @default.
- W2999476592 hasConcept C185592680 @default.
- W2999476592 hasConcept C192562407 @default.
- W2999476592 hasConcept C2777869211 @default.
- W2999476592 hasConcept C2779896888 @default.
- W2999476592 hasConcept C2781442258 @default.
- W2999476592 hasConcept C52859227 @default.
- W2999476592 hasConcept C55352822 @default.
- W2999476592 hasConcept C68801617 @default.
- W2999476592 hasConceptScore W2999476592C113843644 @default.
- W2999476592 hasConceptScore W2999476592C147789679 @default.
- W2999476592 hasConceptScore W2999476592C159467904 @default.
- W2999476592 hasConceptScore W2999476592C17525397 @default.
- W2999476592 hasConceptScore W2999476592C178790620 @default.
- W2999476592 hasConceptScore W2999476592C179104552 @default.
- W2999476592 hasConceptScore W2999476592C184651966 @default.
- W2999476592 hasConceptScore W2999476592C185592680 @default.
- W2999476592 hasConceptScore W2999476592C192562407 @default.
- W2999476592 hasConceptScore W2999476592C2777869211 @default.
- W2999476592 hasConceptScore W2999476592C2779896888 @default.
- W2999476592 hasConceptScore W2999476592C2781442258 @default.
- W2999476592 hasConceptScore W2999476592C52859227 @default.
- W2999476592 hasConceptScore W2999476592C55352822 @default.
- W2999476592 hasConceptScore W2999476592C68801617 @default.
- W2999476592 hasLocation W29994765921 @default.
- W2999476592 hasOpenAccess W2999476592 @default.
- W2999476592 hasPrimaryLocation W29994765921 @default.
- W2999476592 hasRelatedWork W1494277032 @default.
- W2999476592 hasRelatedWork W1986330154 @default.
- W2999476592 hasRelatedWork W1994413241 @default.
- W2999476592 hasRelatedWork W2014133726 @default.
- W2999476592 hasRelatedWork W2031382128 @default.
- W2999476592 hasRelatedWork W2032515133 @default.
- W2999476592 hasRelatedWork W2068165466 @default.
- W2999476592 hasRelatedWork W2076702902 @default.
- W2999476592 hasRelatedWork W2100333213 @default.
- W2999476592 hasRelatedWork W2223304417 @default.
- W2999476592 hasRelatedWork W2344619692 @default.
- W2999476592 hasRelatedWork W2479949695 @default.
- W2999476592 hasRelatedWork W2927401691 @default.
- W2999476592 hasRelatedWork W2969477414 @default.
- W2999476592 hasRelatedWork W2981543718 @default.
- W2999476592 hasRelatedWork W3000530060 @default.
- W2999476592 hasRelatedWork W3046005004 @default.
- W2999476592 hasRelatedWork W3100189212 @default.
- W2999476592 hasRelatedWork W3201390387 @default.
- W2999476592 hasRelatedWork W3204284399 @default.
- W2999476592 isParatext "false" @default.
- W2999476592 isRetracted "false" @default.
- W2999476592 magId "2999476592" @default.
- W2999476592 workType "article" @default.