Ab initio vacancy formation energies and kinetics at metal surfaces under high electric field

HIGHLIGHTS

• who: Shyam Katnagallu from the fu03c5u0308r Eisenforschung GmbH, Max-Planck- Str1, Du00fcsseldorf, Germany have published the research work: Ab initio vacancy formation energies and kinetics at metal surfaces under high electric field, in the Journal: (JOURNAL) of 20/01/2023
• what: Contrary to what was proposed the authors show that the formation of vacancies on the electrified metal surface is more difficult compared to a field-free case. The authors show that such calculations can improve the confidence in extracting the vacancy concentrations and atomic environments from 3D-FIM.
• how: To set up . . .
  

   

  

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