Published in
Royal Society of Chemistry, Physical Chemistry Chemical Physics, 34(23), p. 18517-18524, 2021
DOI: 10.1039/d1cp02313f
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Covalent photofunctionalization and electronic repair of 2H-MoS<sub>2</sub>via nitrogen incorporation
Journal article published in 2021 by
Helena Osthues 
,
Christian Schwermann ,
Johann A. Preuß ,
Thorsten Deilmann ,
Rudolf Bratschitsch ,
Michael Rohlfing,
Nikos L. Doltsinis
,
Christian Schwermann ,
Johann A. Preuß ,
Thorsten Deilmann ,
Rudolf Bratschitsch ,
Michael Rohlfing,
Nikos L. Doltsinis
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Abstract
Ab initio calculations are used to study defect-free attachment of functional molecules via nitrogen incorporation at sulfur vacancies. This approach allows for stable modification while keeping the extraordinary properties of MoS2 monolayers.