Dual Binding Configurations of Subphthalocyanine on Ag(100) Substrate Characterized by Scanning Tunneling Microscopy, Tip-Enhanced Raman Spectroscopy, and Density Functional Theory

2018 ◽  
Vol 122 (10) ◽  
pp. 5489-5495 ◽  
Author(s):  
Philip J. Whiteman ◽  
Jeremy F. Schultz ◽  
Zachary D. Porach ◽  
Hanning Chen ◽  
Nan Jiang
Keyword(s):  
Density Functional Theory ◽  
Raman Spectroscopy ◽  
Scanning Tunneling Microscopy ◽  
Density Functional ◽  
Scanning Tunneling ◽  
Tunneling Microscopy ◽  
Functional Theory ◽  
Tip Enhanced Raman Spectroscopy

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.

Sb-terminated InAs(001)-(2×4) and (2×8) studied using scanning tunneling microscopy and ab initio density functional theory

2001 ◽  
Vol 692 ◽  
Author(s):  
William Barvosa-Carter ◽  
Frank Grosse ◽  
James H. G. Owen ◽  
Jennifer J. Zinck
Keyword(s):  
Density Functional Theory ◽  
Scanning Tunneling Microscopy ◽  
Ab Initio ◽  
Density Functional ◽  
Scanning Tunneling ◽  
Tunneling Microscopy ◽  
Functional Theory ◽  
Subsequent Formation ◽  
Wide Range ◽  
Symmetry Surface

AbstractWe have studied the structure of MBE-grown InAs(001)-(2×4) surfaces exposed to low Sb2 fluxes by scanning tunneling microscopy (STM) and ab initio density functional theory (DFT). Experimentally, we observe an Sb-terminated α2(2×4) phase over a wide range of temperatures (400–510 °C) for low Sb2 flux (<0.1 ML/s), whereas temperature and As2 flux must be carefully controlled to achieve the same As-terminated surface structure. At lower temperatures, we observe indications of an Sb-terminated (2×8) symmetry surface phase, and we report briefly on its proposed structure and stability, as well as its possible role in subsequent formation of the Sb-terminated (1×3) phase found at typical Sb2 fluxes used during heterostructure growth.

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