Skip to content
Home
About Us
Resources
Profiles Metrics
Authors Directory
Institutions Directory
Top Authors
Top Institutions
Top Sponsors
AI Digest
Contact Us
Menu
Home
About Us
Resources
Profiles Metrics
Authors Directory
Institutions Directory
Top Authors
Top Institutions
Top Sponsors
AI Digest
Contact Us
Home
About Us
Resources
Profiles Metrics
Authors Directory
Institutions Directory
Top Authors
Top Institutions
Top Sponsors
AI Digest
Contact Us
Menu
Home
About Us
Resources
Profiles Metrics
Authors Directory
Institutions Directory
Top Authors
Top Institutions
Top Sponsors
AI Digest
Contact Us
Publication Details
AFRICAN RESEARCH NEXUS
SHINING A SPOTLIGHT ON AFRICAN RESEARCH
materials science
First-principles analysis of MoS
2
/Ti
2
C and MoS
2
/Ti
2
CY
2
(Y=F and OH) all-2D semiconductor/metal contacts
Physical Review B - Condensed Matter and Materials Physics, Volume 87, No. 24, Article 245307, Year 2013
Notification
URL copied to clipboard!
Description
First-principles calculations are used to explore the geometry, bonding, and electronic properties of MoS2/Ti2C and MoS 2/Ti2CY2 (Y = F and OH) semiconductor/metal contacts. The structure of the interfaces is determined. Strong chemical bonds formed at the MoS2/Ti2C interface result in additional states next to the Fermi level, which extend over the three atomic layers of MoS2 and induce a metallic character. The interaction in MoS 2/Ti2CY2, on the other hand, is weak and not sensitive to the specific geometry, and the semiconducting nature thus is preserved. The energy level alignment implies weak and strong n-type doping of MoS2 in MoS2/Ti2CF2 and MoS 2/Ti2C(OH)2, respectively. The corresponding n-type Schottky barrier heights are 0.85 and 0.26 eV. We show that the MoS 2/Ti2CF2 interface is close to the Schottky limit. At the MoS2/Ti2C(OH)2 interface, we find that a strong dipole due to charge rearrangement induces the Schottky barrier. The present interfaces are well suited for application in all-two-dimensional devices. © 2013 American Physical Society.
Authors & Co-Authors
Gan, Liyong
Saudi Arabia, Thuwal
King Abdullah University of Science and Technology
Zhao, Yujun
China, Guangzhou
South China University of Technology
Huang, Dan
China, Changde
Hunan University of Arts and Science
Schwingenschlögl, Udo Erich
Saudi Arabia, Thuwal
King Abdullah University of Science and Technology
Statistics
Citations: 133
Authors: 4
Affiliations: 3
Identifiers
Doi:
10.1103/PhysRevB.87.245307
ISSN:
10980121
e-ISSN:
1550235X