scholarly journals Improved transition metal surface energies from a generalized gradient approximation developed for quasi two-dimensional systems

2020 ◽  
Vol 152 (15) ◽  
pp. 151101 ◽  
Author(s):  
Abhilash Patra ◽  
Subrata Jana ◽  
Lucian A. Constantin ◽  
Letizia Chiodo ◽  
Prasanjit Samal
Keyword(s):  
Transition Metal ◽  
Metal Surface ◽  
Two Dimensional ◽  
Generalized Gradient ◽  
Surface Energies ◽  
Generalized Gradient Approximation ◽  
Transition Metal Surface

scholarly journals Cohesion and coordination effects on transition metal surface energies

2017 ◽  
Vol 664 ◽  
pp. 45-49 ◽  
Author(s):  
Judit Ruvireta ◽  
Lorena Vega ◽  
Francesc Viñes
Keyword(s):  
Transition Metal ◽  
Metal Surface ◽  
Surface Energies ◽  
Transition Metal Surface

scholarly journals Theoretical Investigations of Transition Metal Surface Energies under Lattice Strain and CO Environment

2018 ◽  
Vol 122 (26) ◽  
pp. 14481-14487 ◽  
Author(s):  
Michael T. Tang ◽  
Zachary W. Ulissi ◽  
Karen Chan
Keyword(s):  
Transition Metal ◽  
Metal Surface ◽  
Lattice Strain ◽  
Surface Energies ◽  
Transition Metal Surface ◽  
Theoretical Investigations

scholarly journals Jacob’s Ladder as Sketched by Escher: Assessing the Performance of Broadly Used Density Functionals on Transition Metal Surface Properties

2017 ◽  
Vol 14 (1) ◽  
pp. 395-403 ◽  
Author(s):  
Lorena Vega ◽  
Judit Ruvireta ◽  
Francesc Viñes ◽  
Francesc Illas
Keyword(s):  
Transition Metal ◽  
Surface Properties ◽  
Metal Surface ◽  
Density Functionals ◽  
Transition Metal Surface ◽  
Jacob's Ladder

Comments on transition metal surface calculations

1977 ◽  
Vol 7 (1) ◽  
pp. 113-122 ◽  
Author(s):  
D G Dempsey ◽  
L Kleinman
Keyword(s):  
Transition Metal ◽  
Metal Surface ◽  
Transition Metal Surface

Calculated transition-metal surface core-level binding-energy shifts

1980 ◽  
Vol 22 (8) ◽  
pp. 3706-3709 ◽  
Author(s):  
Anders Rosengren ◽  
Börje Johansson
Keyword(s):  
Binding Energy ◽  
Transition Metal ◽  
Metal Surface ◽  
Core Level ◽  
Transition Metal Surface ◽  
Core Level Binding Energy

OS1124 Stress state on 4d transition metal surface : an ab initio study

2014 ◽  
Vol 2014 (0) ◽  
pp. _OS1124-1_-_OS1124-2_
Author(s):  
Yoshinori SHIIHARA ◽  
Masanori KOHYAMA
Keyword(s):  
Stress State ◽  
Transition Metal ◽  
Ab Initio ◽  
Metal Surface ◽  
Ab Initio Study ◽  
Transition Metal Surface
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