scholarly journals CO2 adsorption on TiO2(110) rutile: Insight from dispersion-corrected density functional theory calculations and scanning tunneling microscopy experiments

2011 ◽  
Vol 134 (10) ◽  
pp. 104707 ◽  
Author(s):  
Dan C. Sorescu ◽  
Junseok Lee ◽  
Wissam A. Al-Saidi ◽  
Kenneth D. Jordan
Keyword(s):  
Density Functional Theory ◽  
Scanning Tunneling Microscopy ◽  
Density Functional ◽  
Co2 Adsorption ◽  
Density Functional Theory Calculations ◽  
Scanning Tunneling ◽  
Tunneling Microscopy ◽  
Functional Theory

scholarly journals Doping of epitaxial graphene by direct incorporation of nickel adatoms

Nanoscale ◽  
2019 ◽  
Vol 11 (21) ◽  
pp. 10358-10364 ◽  
Author(s):  
Virginia Carnevali ◽  
Laerte L. Patera ◽  
Gianluca Prandini ◽  
Matteo Jugovac ◽  
Silvio Modesti ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Scanning Tunneling Microscopy ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
Epitaxial Graphene ◽  
Scanning Tunneling ◽  
Tunneling Microscopy ◽  
Functional Theory ◽  
Direct Incorporation

Ni adatoms incorporated in epitaxial graphene during growth on Ni(111) are identified by scanning tunneling microscopy and density functional theory calculations.

Visualizing tilted binding and precession of diatomic NO adsorbed to Co-porphyrin on Au(111) using scanning tunneling microscopy

2014 ◽  
Vol 5 (6) ◽  
pp. 2224-2229 ◽  
Author(s):  
Howon Kim ◽  
Yun Hee Chang ◽  
Soon-Hyeong Lee ◽  
Soobin Lim ◽  
Seung-Kyun Noh ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Scanning Tunneling Microscopy ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
Scanning Tunneling ◽  
Tunneling Microscopy ◽  
Functional Theory

By considering tilted binding and precession motion of NO, we explained the bright ring shapes observed in scanning tunneling microscopy of NO–Co-porphyrin on Au(111), with our density functional theory calculations.

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