BEGIN:VCALENDAR
VERSION:2.0
PRODID:-//Talks.cam//talks.cam.ac.uk//
X-WR-CALNAME:Talks.cam
BEGIN:VEVENT
SUMMARY:Computational Electrochemistry in Atomic scale: A brief history\, 
 applications and current stage of its development - Dr. Seung-Jae Shin Sch
 ool of Energy and Chemical Engineering\, UNIST
DTSTART:20250714T130000Z
DTEND:20250714T140000Z
UID:TALK233605@talks.cam.ac.uk
CONTACT:Lisa Masters
DESCRIPTION:Theoretical frameworks have given a general guideline to elect
 rochemists for understanding the multiscale nature of electrochemical reac
 tions. The Nernst equation\, Butler-Volmer equation\, and Nernst-Planck eq
 uation are the major frameworks to understand thermodynamics\, kinetics\, 
 and transport phenomena. However\, these key theories are not efficient en
 ough to figure out every detail with the development of rapid nanotechnolo
 gies\, the enormously expanded material space\, different cell configurati
 ons\, and versatile reactions.\nComputational electrochemistry investigate
 s electrochemical phenomena\, including the interface\, charge transfer\, 
 and mass transport. It can effectively address many intriguing questions w
 ith the help of different levels of theories and computational approaches.
 \nAtomic-scale computational chemistry has gained attention since Professo
 r Nørskov successfully explained the 'origin of overpotential' at differe
 nt oxide materials for oxygen evolution reactions. After this theory\, a.k
 .a.\, d-band theory\, the computational electrochemistry in atomic resolut
 ion has been widely developed by many theoretical electrochemistry groups 
 worldwide.\nIn this seminar\, I will discuss the brief history of atomic-s
 cale computational electrochemistry and its applications to electrocatalys
 is. A short summary of the current state of its development including util
 isation of machine learning potential will also be covered. Finally\, its 
 potential application to understand wide range of phenomena in (photo)elec
 trochemical system\, next generation batteries\, and catalysis will be dis
 cussed.
LOCATION:Unilever Lecture Theatre\,  Department of Chemistry
END:VEVENT
END:VCALENDAR