Regulation of transport properties by polytypism: a computational study on bilayer MoS2

2017 ◽  
Vol 19 (32) ◽  
pp. 21282-21286 ◽  
Author(s):  
Swastika Banerjee ◽  
Jaehong Park ◽  
Cheol Seong Hwang ◽  
Jung-Hae Choi ◽  
Seung-Cheol Lee ◽  
...  
Keyword(s):  
Transport Properties ◽  
Computational Study ◽  
Van Der Waals ◽  
Regulation Of Transport

Being a member of the van der Waals class of solids, bilayer MoS2exhibits polytypism due to different possible stacking arrangements, namely, 2Hc, 2Haand 3R-polytypes which in turn differentiates the transport preoperty of the polytypes.

Charge transport properties of open-shell graphene fragments: a computational study of the phenalenyl tilings

2021 ◽  
Author(s):  
Wei-Chih Chen ◽  
Ito Chao
Keyword(s):  
Charge Transport ◽  
Transport Properties ◽  
Computational Study ◽  
Design Strategy ◽  
Open Shell

The skeleton of the phenalenyl radical was extended to explore charge-transporting materials. MO-based design strategy successfully leads to graphene-like radicals superior to the phenalenyl radical with different sizes and shapes.

First-principles study on photoelectric and transport properties of CsXBr3 (X = Ge, Sn) and blue phosphorus van der Waals heterojunctions

2021 ◽  
Vol 129 (3) ◽  
pp. 035302
Author(s):  
Mengli Yao ◽  
Xiaojiao Zhang ◽  
Tian Wu ◽  
Biao Liu ◽  
Mingjun Li ◽  
...  
Keyword(s):  
Transport Properties ◽  
First Principles ◽  
Van Der Waals ◽  
First Principles Study
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