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Effective Doping of Square/Octagon‐Phase Arsenene by Adsorption of Organic Molecules
Author(s) -
Zhao Ning,
Schwingenschlögl Udo
Publication year - 2021
Publication title -
advanced theory and simulations
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.068
H-Index - 17
ISSN - 2513-0390
DOI - 10.1002/adts.202000300
Subject(s) - adsorption , doping , molecule , phase (matter) , materials science , square (algebra) , mean square , organic molecules , chemical physics , nanotechnology , chemical engineering , chemistry , optoelectronics , organic chemistry , geometry , mathematics , statistics , engineering
Adsorption of organic molecules can be a better choice than traditional chemical doping to achieve effective doping of 2D materials. The adsorption of organic molecules on square/octagon‐phase (S/O‐phase) arsenene is investigated and promoted the possibility of developing p–n junctions. In particular, it is found that adsorption of F4‐TCNQ or TCNE molecules leads to effective p‐doping. Adsorption of DMPD or TTF molecules leads to less effective n‐doping. Interestingly, in the case of TTF adsorption strain engineering can be used to greatly improve the material properties. Therefore, both effective n‐ and p‐doping of S/O‐phase arsenene can be realized.