Open AccessSome properties of germanene when adsorption of NH3 in the external field
Author(s) -
Hoang Van Ngoc
Publication year - 2021
Publication title -
journal of physics. conference series
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.21
H-Index - 85
eISSN - 1742-6596
pISSN - 1742-6588
DOI - 10.1088/1742-6596/2070/1/012005
Subject(s) - germanene , position (finance) , doping , electric field , density functional theory , materials science , charge density , adsorption , work (physics) , band gap , field (mathematics) , displacement (psychology) , condensed matter physics , nanotechnology , chemical physics , chemistry , physics , computational chemistry , thermodynamics , quantum mechanics , silicene , psychology , graphene , mathematics , finance , pure mathematics , economics , psychotherapist
This work studies on germanene when adsorbing NH 3 gas, the system is placed in an 0 external electric field of 0.3 V / AÅ. By using the density functional theory (DFT) and VASP software, the properties of the energy band structure, the density of the state, and the charge displacement have been studied. There are four locations in which NH 3 doped research is hollow, bridge, valley, and top. At the bridge position for the minimum adsorption energy, this indicates that the bridge position is the most optimal position when doped with NH 3 . The state density energy region structure, the charge displacement will be studied for the most optimal position. Placing the system in an external electric field will change the energy band structure as well as other properties of the NH 3 doped germanene. This study will be useful for all steps of research in sensor or biomedical.