FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W4283030032> ?p ?o ?g. }

• W4283030032 abstract "A precise understanding of the interfacial structure and dynamics is essential for the optimal design of various electrochemical devices. Herein, we propose a method for classical molecular dynamics simulations to deal with electrochemical interfaces with polarizable electrodes under the open circuit condition. Less attention has been given to electrochemical circuit conditions in computation despite being often essential for a proper assessment, especially comparison between different models. The present method is based on the chemical potential equalization principle, as is a method developed previously to deal with systems under the closed circuit condition. These two methods can be interconverted through the Legendre transformation so that the difference in the circuit conditions can be compared on the same footing. Furthermore, the electrode polarization effect can be correctly studied by comparing the present method with conventional simulations with the electrodes represented by fixed charges, since both of the methods describe systems under the open circuit condition. The method is applied to a parallel-plate capacitor composed of platinum electrodes and an aqueous electrolyte solution. The electrode polarization effects have an impact on the interfacial structure of the electrolyte solution. We found that the difference in circuit conditions significantly affects the dynamics of the electrolyte solution. The electric field at the charged electrode surface is poorly screened by the nonequilibrium solution structure in the open circuit condition, which accelerates the motion of the electrolyte solution." @default.
• W4283030032 created "2022-06-18" @default.
• W4283030032 creator A5034039079 @default.
• W4283030032 creator A5041712704 @default.
• W4283030032 creator A5064310115 @default.
• W4283030032 date "2022-07-06" @default.
• W4283030032 modified "2023-09-26" @default.
• W4283030032 title "Unified polarizable electrode models for open and closed circuits: Revisiting the effects of electrode polarization and different circuit conditions on electrode–electrolyte interfaces" @default.
• W4283030032 cites W1495812477 @default.
• W4283030032 cites W1593985392 @default.
• W4283030032 cites W1773787579 @default.
• W4283030032 cites W1970149124 @default.
• W4283030032 cites W1972872586 @default.
• W4283030032 cites W1973015387 @default.
• W4283030032 cites W1973101250 @default.
• W4283030032 cites W1974671064 @default.
• W4283030032 cites W1977482735 @default.
• W4283030032 cites W1978868316 @default.
• W4283030032 cites W1988221152 @default.
• W4283030032 cites W1991794210 @default.
• W4283030032 cites W1996144996 @default.
• W4283030032 cites W1998873401 @default.
• W4283030032 cites W2011774713 @default.
• W4283030032 cites W2012884606 @default.
• W4283030032 cites W2017471383 @default.
• W4283030032 cites W2020119851 @default.
• W4283030032 cites W2022479085 @default.
• W4283030032 cites W2033529408 @default.
• W4283030032 cites W2044735932 @default.
• W4283030032 cites W2046083721 @default.
• W4283030032 cites W2046258791 @default.
• W4283030032 cites W2048084856 @default.
• W4283030032 cites W2049475242 @default.
• W4283030032 cites W2051139780 @default.
• W4283030032 cites W2053174640 @default.
• W4283030032 cites W2064366437 @default.
• W4283030032 cites W2071427041 @default.
• W4283030032 cites W2078389440 @default.
• W4283030032 cites W2081207561 @default.
• W4283030032 cites W2081463986 @default.
• W4283030032 cites W2095225656 @default.
• W4283030032 cites W2141950644 @default.
• W4283030032 cites W2142688365 @default.
• W4283030032 cites W2148745926 @default.
• W4283030032 cites W2166584818 @default.
• W4283030032 cites W2170006871 @default.
• W4283030032 cites W2275507671 @default.
• W4283030032 cites W2283760477 @default.
• W4283030032 cites W2316572921 @default.
• W4283030032 cites W2319181988 @default.
• W4283030032 cites W2321971777 @default.
• W4283030032 cites W2322132912 @default.
• W4283030032 cites W2322548925 @default.
• W4283030032 cites W2327486890 @default.
• W4283030032 cites W2381982284 @default.
• W4283030032 cites W2416338102 @default.
• W4283030032 cites W2561566815 @default.
• W4283030032 cites W2577952833 @default.
• W4283030032 cites W2591614804 @default.
• W4283030032 cites W2619833527 @default.
• W4283030032 cites W2751485667 @default.
• W4283030032 cites W2771592084 @default.
• W4283030032 cites W2779161740 @default.
• W4283030032 cites W2784241754 @default.
• W4283030032 cites W2883897127 @default.
• W4283030032 cites W2912852480 @default.
• W4283030032 cites W2915024737 @default.
• W4283030032 cites W2947393095 @default.
• W4283030032 cites W2948790179 @default.
• W4283030032 cites W2955853900 @default.
• W4283030032 cites W2982679835 @default.
• W4283030032 cites W2997272268 @default.
• W4283030032 cites W3007493210 @default.
• W4283030032 cites W3015841488 @default.
• W4283030032 cites W3029058004 @default.
• W4283030032 cites W3047852194 @default.
• W4283030032 cites W3096453654 @default.
• W4283030032 cites W3099270153 @default.
• W4283030032 cites W3104017686 @default.
• W4283030032 cites W3106211034 @default.
• W4283030032 cites W3122763573 @default.
• W4283030032 cites W3141232265 @default.
• W4283030032 cites W3156160515 @default.
• W4283030032 doi "https://doi.org/10.1063/5.0093095" @default.
• W4283030032 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/35803827" @default.
• W4283030032 hasPublicationYear "2022" @default.
• W4283030032 type Work @default.
• W4283030032 citedByCount "4" @default.
• W4283030032 countsByYear W42830300322022 @default.
• W4283030032 countsByYear W42830300322023 @default.
• W4283030032 crossrefType "journal-article" @default.
• W4283030032 hasAuthorship W4283030032A5034039079 @default.
• W4283030032 hasAuthorship W4283030032A5041712704 @default.
• W4283030032 hasAuthorship W4283030032A5064310115 @default.
• W4283030032 hasBestOaLocation W42830300322 @default.
• W4283030032 hasConcept C119599485 @default.
• W4283030032 hasConcept C127413603 @default.
• W4283030032 hasConcept C132543647 @default.
• W4283030032 hasConcept C139287275 @default.
• W4283030032 hasConcept C147789679 @default.

• next