Core electron binding energies of adsorbates on Cu(111) from first-principles calculations

C1s and O1s core level binding energy shifts have been calculated for various adsorbates on Cu(111) using the ΔSCF method.

Accurate absolute core-electron binding energies of molecules, solids, and surfaces from first-principles calculations

Physical Review Materials ◽

10.1103/physrevmaterials.3.100801 ◽

2019 ◽

Vol 3 (10) ◽

Cited By ~ 7

Author(s):

J. Matthias Kahk ◽

Johannes Lischner

Keyword(s):

First Principles ◽

Binding Energies ◽

First Principles Calculations ◽

Core Electron ◽

Photoelectron spectrum of valence anions of uracil and first-principles calculations of excess electron binding energies

The Journal of Chemical Physics ◽

10.1063/1.2965128 ◽

2008 ◽

Vol 129 (5) ◽

pp. 054309 ◽

Cited By ~ 34

Author(s):

Rafał A. Bachorz ◽

Wim Klopper ◽

Maciej Gutowski ◽

Xiang Li ◽

Kit H. Bowen

Keyword(s):

First Principles ◽

Photoelectron Spectrum ◽

Binding Energies ◽

Excess Electron ◽

First Principles Calculations ◽

Evidencing Intermolecular Effects with Core-Level Photoelectron Spectroscopy via the Accurate Density Functional Calculation of Core−Electron Binding Energies on Model Systems: γ-APS as a Test

The Journal of Physical Chemistry B ◽

10.1021/jp971996b ◽

1997 ◽

Vol 101 (49) ◽

pp. 10254-10261 ◽

Cited By ~ 13

Author(s):

Spyridon Kranias ◽

Christophe Bureau ◽

Delano P. Chong ◽

Valérie Brenner ◽

Isabelle George ◽

...

Keyword(s):

Photoelectron Spectroscopy ◽

Density Functional ◽

Binding Energies ◽

Core Level ◽

Model Systems ◽

Density Functional Calculation ◽

Core Electron ◽

Cluster growth and core-electron binding energies in supported metal clusters

Physical Review B ◽

10.1103/physrevb.37.844 ◽

1988 ◽

Vol 37 (2) ◽

pp. 844-847 ◽

Cited By ~ 190

Author(s):

G. K. Wertheim ◽

S. B. DiCenzo

Keyword(s):

Metal Clusters ◽

Binding Energies ◽

Cluster Growth ◽

Core Electron ◽

Supported Metal Clusters ◽

Supported Metal ◽

Prediction of core electron binding energies with a four-parameter equation

Journal of the American Chemical Society ◽

10.1021/ja00437a013 ◽

1976 ◽

Vol 98 (21) ◽

pp. 6500-6504 ◽

Cited By ~ 20

Author(s):

William L. Jolly ◽

Albert A. Bakke

Keyword(s):

Binding Energies ◽

Core Electron ◽

Parameter Equation ◽

Ab initio calculation of core-electron binding energies in small molecules

Chemical Physics Letters ◽

10.1016/0009-2614(85)87033-0 ◽

1985 ◽

Vol 120 (2) ◽

pp. 163-166 ◽

Cited By ~ 5

Author(s):

P.K. Mukherjee ◽

D.P. Chong

Keyword(s):

Ab Initio ◽

Small Molecules ◽

Ab Initio Calculation ◽

Binding Energies ◽

Core Electron ◽

Ab initio calculations of core electron binding energies and shifts in halomethanes

Theoretica Chimica Acta ◽

10.1007/bf00527434 ◽

1973 ◽

Vol 31 (2) ◽

pp. 171-182 ◽

Cited By ~ 42

Author(s):

David B. Adams ◽

David T. Clark

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Binding Energies ◽

Core Electron ◽

And Shifts ◽

Multiplet Hole Splittings of Core Electron Binding Energies in Transition Metal and Rare-Earth Ions

10.1063/1.2946960 ◽

1973 ◽

Author(s):

P. S. Bagus ◽

A. J. Freeman ◽

F. Sasaki ◽

Hugh C. Wolfe ◽

C. D. Graham ◽

...

Keyword(s):

Rare Earth ◽

Transition Metal ◽

Binding Energies ◽

Rare Earth Ions ◽

Core Electron ◽

Chemical Effects on Core‐Electron Binding Energies in Iodine and Europium

The Journal of Chemical Physics ◽

10.1063/1.1669685 ◽

1968 ◽

Vol 48 (8) ◽

pp. 3779-3794 ◽

Cited By ~ 205

Author(s):

C. S. Fadley ◽

S. B. M. Hagstrom ◽

M. P. Klein ◽

D. A. Shirley

Keyword(s):

Binding Energies ◽

Core Electron ◽

Chemical Effects ◽

Core-electron binding energies of adsorbed metallic monolayers: Au/Ag(111)

Physical Review B ◽

10.1103/physrevb.33.914 ◽

1986 ◽

Vol 33 (2) ◽

pp. 914-918 ◽

Cited By ~ 19

Author(s):

G. K. Wertheim ◽

D. N. E. Buchanan

Keyword(s):

Binding Energies ◽

Core Electron ◽