English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Plus monthly

Global: Zendy Tools annual

Global: Zendy Tools monthly

Global: Zendy Free Plan

Battery electrode surfaces are generally coated with electronicallyinsulating solid films of thickness 1-50 nm. Both electrons and Li+ can move atthe electrode-surface film interface in response to the voltage, which addscomplexity to the "electric double layer" (EDL). We apply Density FunctionalTheory (DFT) to investigate how the applied voltage is manifested as changes inthe EDL at atomic lengthscales, including charge separation and interfacialdipole moments. Illustrating examples include Li(3)PO(4), Li(2)CO(3), andLi(x)Mn(2)O(4) thin-films on Au(111) surfaces under ultrahigh vacuumconditions. Adsorbed organic solvent molecules can strongly reduce voltagespredicted in vacuum. We propose that manipulating surface dipoles, seldomdiscussed in battery studies, may be a viable strategy to improve electrodepassivation. We also distinguish the computed potential governing electrons,which is the actual or instantaneous voltage, and the "lithium cohesive energy"based voltage governing Li content widely reported in DFT calculations, whichis a slower-responding self-consistency criterion at interfaces. Thisdistinction is critical for a comprehensive description of electrochemicalactivities on electrode surfaces, including Li+ insertion dynamics, parasiticelectrolyte decomposition, and electrodeposition at overpotentials.

How Voltage Drops are Manifested by Lithium Ion Configurations at Interfaces and in Thin Films on Battery Electrodes