scholarly journals Covalent coupling via dehalogenation on Ni(111) supported boron nitride and graphene

2015 ◽  
Vol 51 (12) ◽  
pp. 2440-2443 ◽  
Author(s):  
Claudius Morchutt ◽  
Jonas Björk ◽  
Sören Krotzky ◽  
Rico Gutzler ◽  
Klaus Kern
Keyword(s):  
Density Functional Theory ◽  
Boron Nitride ◽  
Density Functional ◽  
Hexagonal Boron Nitride ◽  
Scanning Tunnelling Microscopy ◽  
Functional Theory ◽  
Covalent Coupling ◽  
Scanning Tunnelling ◽  
Tunnelling Microscopy

Polymerization of 1,3,5-tris(4-bromophenyl)benzene on graphene and hexagonal boron nitride is investigated by scanning tunnelling microscopy and density functional theory.

scholarly journals Understanding the self-assembly of TCNQ on Cu(111): a combined study based on scanning tunnelling microscopy experiments and density functional theory simulations

RSC Advances ◽  
2016 ◽  
Vol 6 (18) ◽  
pp. 15071-15079 ◽  
Author(s):  
Daniele Stradi ◽  
Bogdana Borca ◽  
Sara Barja ◽  
Manuela Garnica ◽  
Cristina Díaz ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Self Assembly ◽  
Density Functional ◽  
Scanning Tunnelling Microscopy ◽  
The Self ◽  
Functional Theory ◽  
Scanning Tunnelling ◽  
Tunnelling Microscopy ◽  
Deposition Conditions

Two polymorphic structures of TCNQ on Cu(111) can be formed by varying the deposition conditions.

Segregation of Fischer–Tropsch reactants on cobalt nanoparticle surfaces

2014 ◽  
Vol 50 (49) ◽  
pp. 6537-6539 ◽  
Author(s):  
E. A. Lewis ◽  
D. Le ◽  
A. D. Jewell ◽  
C. J. Murphy ◽  
T. S. Rahman ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Carbon Monoxide ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
Cobalt Nanoparticles ◽  
Fischer Tropsch ◽  
Functional Theory ◽  
Scanning Tunnelling ◽  
Tunnelling Microscopy ◽  
Cobalt Nanoparticle

Scanning tunnelling microscopy reveals segregation of carbon monoxide and hydrogen, the two Fischer–Tropsch synthesis reactants, on cobalt nanoparticles at catalytically relevant coverages. Density functional theory calculations elucidate the energetics.

scholarly journals Interaction of hydrated metals with chemically modified hexagonal boron nitride quantum dots: wastewater treatment and water splitting

2020 ◽  
Vol 22 (4) ◽  
pp. 2566-2579 ◽  
Author(s):  
H. Abdelsalam ◽  
W. O. Younis ◽  
V. A. Saroka ◽  
N. H. Teleb ◽  
S. Yunoki ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Quantum Dots ◽  
Wastewater Treatment ◽  
Boron Nitride ◽  
Density Functional ◽  
Hexagonal Boron Nitride ◽  
Density Functional Theory Calculations ◽  
Adsorption Properties ◽  
Functional Theory ◽  
Chemically Modified

The electronic and adsorption properties of chemically modified square hexagonal boron nitride quantum dots are investigated using density functional theory calculations.

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