Journal
IEEE ELECTRON DEVICE LETTERS
Volume 39, Issue 2, Pages 284-287Publisher
IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
DOI: 10.1109/LED.2017.2787788
Keywords
C3N; gas sensor; toxic gases; first principles; NEGF
Categories
Funding
- National Natural Science Foundation of China [51303033]
- Guangxi Natural Science Foundation [2014GXNSFCB118004]
- Advanced Manufacturing Technology [15-140-30-002Z]
- Fundamental Research Funds for the Central Universities [106112017CDJQJ128836]
- State Key Laboratory of Advanced Power Transmission Technology [GEIRI-SKL-2017-013]
- Guilin Science and Technology Development Foundation [20140103-3]
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The adsorption of gas molecules, such as N-2, O-2, CO2, H2O, CO, NO, NO2, H2S, NH3, and SO2 on monolayer C3N has been investigated by means of first-principles and non-equilibriumGreen's function calculations. We show that monolayer C3N is preferable for the NO2 and SO2 molecules with suitable adsorption strength and apparent charge transfers. Moreover, the I-V characteristics of C3N show clear variations after the adsorption of NO2 and SO2. Such sensitivity and selectivity to NO2 and SO2 molecules make C3N a promising candidate for highly sensitive gas sensor.
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