Structural and electronic properties of(32×2)R45°-Sn/Cu(100): Density functional theory and scanning tunneling microscopy

2009 ◽  
Vol 80 (11) ◽  
Author(s):  
J. D. Fuhr ◽  
J. E. Gayone ◽  
J. Martínez-Blanco ◽  
E. G. Michel ◽  
H. Ascolani
Keyword(s):  
Density Functional Theory ◽  
Scanning Tunneling Microscopy ◽  
Electronic Properties ◽  
Density Functional ◽  
Scanning Tunneling ◽  
Tunneling Microscopy ◽  
Functional Theory ◽  
Structural And Electronic Properties

scholarly journals Electronic Properties and Scanning Tunneling Microscopy Simulation of MoS2 Nanosheets by Using Density Functional Theory

2021 ◽  
Vol 69 (1) ◽  
pp. 53-57
Author(s):  
Fariha Ahmed ◽  
Alamgir Kabir
Keyword(s):  
Density Functional Theory ◽  
Scanning Tunneling Microscopy ◽  
Electronic Properties ◽  
Density Functional ◽  
Scanning Tunneling ◽  
Mos2 Nanosheets ◽  
Indirect Transition ◽  
Tunneling Microscopy ◽  
Functional Theory ◽  
Bulk Mos2

The ab-initio Density Functional Theory (DFT) approach is used to study the electronic properties of bulk and layered MoS2 nanosheets. For the layered structures mono, bi, tri, tetra and penta layered structure is used. The direct to indirect transition of bandgap is observed as the number of layers is increasing. This transition of bandgap is attributed to the van der Waals interlayer interaction between two layers of MoS2 nanosheets. The indirect bandgap in the bulk MoS2 is found to be 0.94 eV, whereas for a single layered nanosheet is found to be direct bandgap with the value of 1.83 eV. To confirm the surface termination and understand the surface morphology of MoS2 the scanning tunneling microscopy (STM) simulation is performed in constant height mode. It is found that the detection of surface atoms via STM depends on the tip atom of the STM. Dhaka Univ. J. Sci. 69(1): 53-57, 2021 (January)

scholarly journals Lithium incorporation into a silica thin film: Scanning tunneling microscopy and density functional theory

2009 ◽  
Vol 80 (24) ◽  
Author(s):  
Jan Frederik Jerratsch ◽  
Niklas Nilius ◽  
Hans-Joachim Freund ◽  
Umberto Martinez ◽  
Livia Giordano ◽  
...  
Keyword(s):  
Thin Film ◽  
Density Functional Theory ◽  
Scanning Tunneling Microscopy ◽  
Density Functional ◽  
Scanning Tunneling ◽  
Tunneling Microscopy ◽  
Functional Theory ◽  
Silica Thin Film ◽  
Lithium Incorporation

scholarly journals Exact location of dopants below the Si(001):H surface from scanning tunneling microscopy and density functional theory

2017 ◽  
Vol 95 (7) ◽  
Author(s):  
Veronika Brázdová ◽  
David R. Bowler ◽  
Kitiphat Sinthiptharakoon ◽  
Philipp Studer ◽  
Adam Rahnejat ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Scanning Tunneling Microscopy ◽  
Density Functional ◽  
Scanning Tunneling ◽  
Tunneling Microscopy ◽  
Functional Theory ◽  
Exact Location

Understanding molecular self-assembly of a diol compound by considering competitive interactions

2016 ◽  
Vol 18 (39) ◽  
pp. 27390-27395 ◽  
Author(s):  
Oscar Díaz Arado ◽  
Maike Luft ◽  
Harry Mönig ◽  
Philipp Alexander Held ◽  
Armido Studer ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Scanning Tunneling Microscopy ◽  
Self Assembly ◽  
Density Functional ◽  
Competitive Interactions ◽  
Scanning Tunneling ◽  
Tunneling Microscopy ◽  
Functional Theory ◽  
Chemical Groups

With a combination of scanning tunneling microscopy and density functional theory, effects on molecular self-assembly involving two distinct chemical groups were investigated.

Sign in / Sign up

Export Citation Format

Share Document