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BEGIN:VEVENT
UID:DSC-12697
DTSTART;TZID=Europe/Berlin:20170619T110000
SEQUENCE:1497857942
TRANSP:OPAQUE
DTEND;TZID=Europe/Berlin:20170619T120000
URL:https://www.dresden-science-calendar.de/calendar/en/detail/12697
LOCATION:IFW\, Helmholtzstraße 2001069 Dresden
SUMMARY:Ghaderzadeh: Investigation of WS2 thin films on TiO2(101) surface
CLASS:PUBLIC
DESCRIPTION:Speaker: Sadegh Ghaderzadeh\nInstitute of Speaker: University o
 f Teheran\nTopics:\nMaterialien\, Physik\n Location:\n  Name: IFW (A2E.30\
 , IFW Dresden)\n  Street: Helmholtzstraße 20\n  City: 01069 Dresden\n  Ph
 one: \n  Fax: \nDescription: Based on Density Functional Theory (DFT)\, th
 e project applied the pseudo-potential approach as implemented in Quantum 
 Espresso computational package. TiO2(101) surface covered with a WS2 mono-
 layer was simulated. We found 10 different metastable configurations\, for
  which some electronic-structure calculations were performed\, including e
 lectronic band structure\, Density of States (DOS)\, and Charge Density. F
 or these metastable configurations\, the interface between TiO2 and WS2 la
 yers were subsequently analyzed according to the mentioned electronic-stru
 cture calculations. Finally\, the Nudged Elastic Band (NEB) method was app
 lied in order to find minimum-energy paths of transitions. Using these res
 ults\, the synthesizability of the configurations and the possibility for 
 solar cell applications were discussed. .
DTSTAMP:20260520T185919Z
CREATED:20170328T075411Z
LAST-MODIFIED:20170619T073902Z
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