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

Michael T. Tang; Zachary W. Ulissi; Karen Chan

doi:10.1021/acs.jpcc.8b02094

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

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.8b02094 ◽

2018 ◽

Vol 122 (26) ◽

pp. 14481-14487 ◽

Cited By ~ 9

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

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

The Journal of Chemical Physics ◽

10.1063/1.5145367 ◽

2020 ◽

Vol 152 (15) ◽

pp. 151101 ◽

Cited By ~ 2

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

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Cohesion and coordination effects on transition metal surface energies

Surface Science ◽

10.1016/j.susc.2017.05.013 ◽

2017 ◽

Vol 664 ◽

pp. 45-49 ◽

Cited By ~ 9

Author(s):

Judit Ruvireta ◽

Lorena Vega ◽

Francesc Viñes

Keyword(s):

Transition Metal ◽

Metal Surface ◽

Surface Energies ◽

Transition Metal Surface

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

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.7b01047 ◽

2017 ◽

Vol 14 (1) ◽

pp. 395-403 ◽

Cited By ~ 32

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

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Nucleation of boron-nitrogen on transition metal surface: A first-principles investigation

Chinese Journal of Chemical Physics ◽

10.1063/1674-0068/31/cjcp1801006 ◽

2018 ◽

Vol 31 (3) ◽

pp. 335-340 ◽

Cited By ~ 2

Author(s):

Dildar Ahmed ◽

Erjun Kan

Keyword(s):

Transition Metal ◽

Metal Surface ◽

First Principles ◽

Transition Metal Surface ◽

Boron Nitrogen

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Anomalies in Surface Kinetics Caused by Isotope Dependent Compression and Phonon Stiffening of Molecular Hydrogen Monolayers on a Transition Metal Surface

Physical Review Letters ◽

10.1103/physrevlett.74.1147 ◽

1995 ◽

Vol 74 (7) ◽

pp. 1147-1150 ◽

Cited By ~ 20

Author(s):

Wolfgang Frieβ ◽

Hartmut Schlichting ◽

Dietrich Menzel

Keyword(s):

Transition Metal ◽

Metal Surface ◽

Molecular Hydrogen ◽

Surface Kinetics ◽

Transition Metal Surface

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Comments on transition metal surface calculations

Journal of Physics F Metal Physics ◽

10.1088/0305-4608/7/1/021 ◽

1977 ◽

Vol 7 (1) ◽

pp. 113-122 ◽

Cited By ~ 17

Author(s):

D G Dempsey ◽

L Kleinman

Keyword(s):

Transition Metal ◽

Metal Surface ◽

Transition Metal Surface

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Face Centered Cubic Transition Metal Surface Vibrations

Vibrations at Surfaces ◽

10.1007/978-1-4684-4058-4_3 ◽

1982 ◽

pp. 39-55

Author(s):

G. Allan ◽

J. Lopez

Keyword(s):

Transition Metal ◽

Metal Surface ◽

Face Centered Cubic ◽

Transition Metal Surface ◽

Surface Vibrations ◽

Face Centered

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

Physical Review B ◽

10.1103/physrevb.22.3706 ◽

1980 ◽

Vol 22 (8) ◽

pp. 3706-3709 ◽

Cited By ~ 117

Author(s):

Anders Rosengren ◽

Börje Johansson

Keyword(s):

Binding Energy ◽

Transition Metal ◽

Metal Surface ◽

Core Level ◽

Transition Metal Surface ◽

Core Level Binding Energy

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Elastic interaction between atoms chemisorbed at a transition metal surface: Application to the chemisorption of oxygen on nickel

Surface Science Letters ◽

10.1016/0167-2584(81)90646-0 ◽

1981 ◽

Vol 103 (2-3) ◽

pp. A56

Author(s):

J. Lopez ◽

G. Allan

Keyword(s):

Transition Metal ◽

Metal Surface ◽

Elastic Interaction ◽

Surface Application ◽

Transition Metal Surface

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

The Proceedings of the Materials and Mechanics Conference ◽

10.1299/jsmemm.2014._os1124-1_ ◽

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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