PMID- 29872795
OWN - NLM
STAT- PubMed-not-MEDLINE
DCOM- 20180620
LR  - 20180620
IS  - 1463-9084 (Electronic)
IS  - 1463-9076 (Linking)
VI  - 20
IP  - 24
DP  - 2018 Jun 20
TI  - Modified MXene: promising electrode materials for constructing Ohmic contacts 
      with MoS(2) for electronic device applications.
PG  - 16551-16557
LID - 10.1039/c8cp02300j [doi]
AB  - The development of MoS2-based electronic devices is dependent on finding 
      electrode materials suitable for forming Ohmic contacts with MoS2. For this 
      purpose, we carried out density functional theory and nonequilibrium Green's 
      function calculations to investigate the possibility of using pristine and 
      modified MXene (Ta2C/Ta2CF2/Ta2C(OH)2) monolayers as the electrode materials in 
      such devices. These calculations indicated the formation of chemical bonds at the 
      MoS2/Ta2C interface, and resulting strong orbital hybridization between the MoS2 
      and Ta2C components, but relatively weak interactions for MoS2/Ta2CF2 and 
      MoS2/Ta2C(OH)2. Ohmic contacts were observed in all three cases. Transport 
      properties were further simulated by modeling two-probe field effect transistors 
      (FETs) with Ta2C/Ta2CF2/Ta2C(OH)2 as electrodes. Interestingly, these simulations 
      indicated the formation of Ohmic contacts between Ta2CF2/Ta2C(OH)2 electrodes and 
      the channel, but an n-type Schottky barrier for the Ta2C electrode. Furthermore, 
      we found the resistance of the FET based on MoS2/Ta2C(OH)2 to be half of that 
      based on MoS2/Ta2CF2. The results of our study not only revealed promising 
      electrode materials for forming full Ohmic contacts with MoS2 monolayers in FET 
      devices, but also validated the effective role of a small-molecule fragment as a 
      buffer layer in realizing Ohmic contacts between metal and semiconductor.
FAU - Zhao, Pei
AU  - Zhao P
AD  - School of Physics, State Key Laboratory of Crystal Materials, Shandong 
      University, 250100 Jinan, People's Republic of China. yandong.ma@sdu.edu.cn 
      daiy60@sina.com.
FAU - Jin, Hao
AU  - Jin H
FAU - Lv, Xingshuai
AU  - Lv X
FAU - Huang, Baibiao
AU  - Huang B
FAU - Ma, Yandong
AU  - Ma Y
FAU - Dai, Ying
AU  - Dai Y
LA  - eng
PT  - Journal Article
PL  - England
TA  - Phys Chem Chem Phys
JT  - Physical chemistry chemical physics : PCCP
JID - 100888160
EDAT- 2018/06/07 06:00
MHDA- 2018/06/07 06:01
CRDT- 2018/06/07 06:00
PHST- 2018/06/07 06:00 [pubmed]
PHST- 2018/06/07 06:01 [medline]
PHST- 2018/06/07 06:00 [entrez]
AID - 10.1039/c8cp02300j [doi]
PST - ppublish
SO  - Phys Chem Chem Phys. 2018 Jun 20;20(24):16551-16557. doi: 10.1039/c8cp02300j.