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Modified MXene:Promising electrode materials for constructing Ohmic contact with MoS2 for electronic device application

Abstract

It is significant for MoS2-based electronic devices to search for suitable electrode materials forming Ohmic contact with MoS2. For this purpose, we investigate the possibility of pristine and modified MXene (Ta2C/Ta2CF2/Ta2C(OH)2) monolayers as the electrode materials based on density function theory and nonequilibrium Green’s function calculations. We find that chemical bonds are formed at the MoS2/Ta2C interface, resulting in strong orbital hybridization between them. While for MoS2/Ta2CF2 and MoS2/Ta2C(OH)2, the interactions are relatively weak. Ohmic contact is observed in all these three cases. Transport properties are further simulated by putting up two-probes field effect transistors (FETs) models with Ta2C/Ta2CF2/Ta2C(OH)2 as electrodes. Interestingly, when Ta2CF2/Ta2C(OH)2 serves as electrodes, the electronic devices exhibit Ohmic contact between electrodes and channel, while for the Ta2C electrode, n-type Schottky barrier is formed. Furthermore, we also find that the resistance of MoS2/Ta2C(OH)2 is two times as small as that of FET based on MoS2/Ta2CF2. Our study not only proposes promising electrode materials for forming full Ohmic contact with the MoS2 monolayer for constructing FET devices, but also validate the effective role of small molecular fragment as buffer layer in realizing Ohmic contact between metal and semiconductor.

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Publication details

The article was received on 11 Apr 2018, accepted on 18 May 2018 and first published on 18 May 2018


Article type: Paper
DOI: 10.1039/C8CP02300J
Citation: Phys. Chem. Chem. Phys., 2018, Accepted Manuscript
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    Modified MXene:Promising electrode materials for constructing Ohmic contact with MoS2 for electronic device application

    P. Zhao, Y. Dai, H. Jin, X. Lv, B. Huang, Y. Ma and D. Ying, Phys. Chem. Chem. Phys., 2018, Accepted Manuscript , DOI: 10.1039/C8CP02300J

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