University of Cambridge > Talks.cam > Electronic Structure Theory > Supercell Modeling of Charged Insulator-Electrolyte Interfaces

  Browse A-Z

Log in

Googledetails Microsoftdetails

🔐 Log In

Information on

Subscribing to talksdetails Finding a talkdetails Adding a talkdetails Disseminating talksdetails Help and Documentationdetails

ℹī¸ Information

Supercell Modeling of Charged Insulator-Electrolyte Interfaces

Download to your calendar using vCal

If you have a question about this talk, please contact Alex Thom .

Atomistic modelling of an electrical double layer (EDL) at solid/electrolyte interfaces is a challenge for methods based on supercells as commonly used for condensed phase simulations. The electrostatic potential due to the net dipole of an EDL seems incompatible with 3D cell periodicity. The problems become even more serious when the solid is a semiconductor because of the poor screening. In this work we analysed the electrostatics of the charged insulator-electrolyte interfaces and used a classical force field model to validate our method to overcome these difficulties.

This talk is part of the Electronic Structure Theory series.

This talk is included in these lists:

Note that ex-directory lists are not shown.

Other lists

Cambridge University United Nations Association (CUUNA) Gonville & Caius College, Cambridge (the Green Room) Brain Repair Centre, Forvie Site, Addenbrookes

Other talks

Bacterial Physiology During Growth Arrest: Can It Be Targeted by Anti-Bacterial Therapeutics? Wolfson Tool Factory Filial Lines: Art Spiegelman, Alison Bechdel, and Comics Form Title to be confirmed Talk TBC Bigger Picture Talk: Developing future marine engines running on ammonia and other green fuels
 

Š 2006-2025 Talks.cam, University of Cambridge. Contact Us | Help and Documentation | Privacy and Publicity