Inclusion of screening effects in the van der Waals corrected DFT simulation of adsorption processes on metal surfaces

Pier Luigi Silvestrelli; Alberto Ambrosetti

doi:10.1103/physrevb.87.075401

Inclusion of screening effects in the van der Waals corrected DFT simulation of adsorption processes on metal surfaces

Physical Review B ◽

10.1103/physrevb.87.075401 ◽

2013 ◽

Vol 87 (7) ◽

Cited By ~ 19

Author(s):

Pier Luigi Silvestrelli ◽

Alberto Ambrosetti

Keyword(s):

Metal Surfaces ◽

Van Der Waals ◽

Dft Simulation ◽

Adsorption Processes

Download Full-text

van der Waals corrected DFT simulation of adsorption processes on transition-metal surfaces: Xe and graphene on Ni(111)

Physical Review B ◽

10.1103/physrevb.91.195405 ◽

2015 ◽

Vol 91 (19) ◽

Cited By ~ 32

Author(s):

Pier Luigi Silvestrelli ◽

Alberto Ambrosetti

Keyword(s):

Transition Metal ◽

Metal Surfaces ◽

Van Der Waals ◽

Dft Simulation ◽

Transition Metal Surfaces ◽

Adsorption Processes

Download Full-text

Van Der Waals-Corrected Density Functional Theory Simulation of Adsorption Processes on Noble-Metal Surfaces: Xe on Ag(111), Au(111), and Cu(111)

Journal of Low Temperature Physics ◽

10.1007/s10909-016-1515-y ◽

2016 ◽

Vol 185 (1-2) ◽

pp. 183-197 ◽

Cited By ~ 6

Author(s):

Pier Luigi Silvestrelli ◽

Alberto Ambrosetti

Keyword(s):

Density Functional Theory ◽

Noble Metal ◽

Metal Surfaces ◽

Density Functional ◽

Van Der Waals ◽

Functional Theory ◽

Adsorption Processes

Download Full-text

Molecule-surface interaction from van der Waals-corrected semilocal density functionals: The example of thiophene on transition-metal surfaces

Physical Review Materials ◽

10.1103/physrevmaterials.4.025005 ◽

2020 ◽

Vol 4 (2) ◽

Cited By ~ 4

Author(s):

Santosh Adhikari ◽

Hong Tang ◽

Bimal Neupane ◽

Adrienn Ruzsinszky ◽

Gábor I. Csonka

Keyword(s):

Transition Metal ◽

Metal Surfaces ◽

Van Der Waals ◽

Surface Interaction ◽

Density Functionals ◽

Transition Metal Surfaces ◽

Molecule Surface

Download Full-text

Structure and energetics of benzene adsorbed on transition-metal surfaces: density-functional theory with van der Waals interactions including collective substrate response

New Journal of Physics ◽

10.1088/1367-2630/15/5/053046 ◽

2013 ◽

Vol 15 (5) ◽

pp. 053046 ◽

Cited By ~ 118

Author(s):

Wei Liu ◽

Victor G Ruiz ◽

Guo-Xu Zhang ◽

Biswajit Santra ◽

Xinguo Ren ◽

...

Keyword(s):

Density Functional Theory ◽

Transition Metal ◽

Metal Surfaces ◽

Density Functional ◽

Van Der Waals ◽

Van Der Waals Interactions ◽

Functional Theory ◽

Transition Metal Surfaces

Download Full-text

Adsorption of thiophene on transition metal surfaces with the inclusion of van der Waals effects

Surface Science ◽

10.1016/j.susc.2017.11.013 ◽

2018 ◽

Vol 669 ◽

pp. 121-129 ◽

Cited By ~ 8

Author(s):

Walter Malone ◽

Jeronimo Matos ◽

Abdelkader Kara

Keyword(s):

Transition Metal ◽

Metal Surfaces ◽

Van Der Waals ◽

Transition Metal Surfaces

Download Full-text

van der Waals Correction to the Physisorption of Graphene on Metal Surfaces

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.9b02838 ◽

2019 ◽

Vol 123 (22) ◽

pp. 13748-13757 ◽

Cited By ~ 8

Author(s):

Hong Tang ◽

Jianmin Tao ◽

Adrienn Ruzsinszky ◽

John P. Perdew

Keyword(s):

Metal Surfaces ◽

Van Der Waals

Download Full-text

Ethanol and Water Adsorption on Close-Packed 3d, 4d, and 5d Transition-Metal Surfaces: A Density Functional Theory Investigation with van der Waals Correction

The Journal of Physical Chemistry C ◽

10.1021/jp308870d ◽

2012 ◽

Vol 116 (46) ◽

pp. 24695-24705 ◽

Cited By ~ 74

Author(s):

Polina Tereshchuk ◽

Juarez L. F. Da Silva

Keyword(s):

Density Functional Theory ◽

Transition Metal ◽

Metal Surfaces ◽

Density Functional ◽

Water Adsorption ◽

Van Der Waals ◽

Functional Theory ◽

Transition Metal Surfaces

Download Full-text

Van der Waals forces and molecular diffraction from metal surfaces, with application to Ag(111)

Chemical Physics ◽

10.1016/0301-0104(82)85175-6 ◽

1982 ◽

Vol 73 (3) ◽

pp. 363-375 ◽

Cited By ~ 39

Author(s):

N.R. Hill ◽

Mitch Haller ◽

V. Celli

Keyword(s):

Metal Surfaces ◽

Van Der Waals ◽

Van Der Waals Forces

Download Full-text

Effect of van der Waals interactions on the chemisorption and physisorption of phenol and phenoxy on metal surfaces

The Journal of Chemical Physics ◽

10.1063/1.4962236 ◽

2016 ◽

Vol 145 (10) ◽

pp. 104701 ◽

Cited By ~ 12

Author(s):

Rengin Peköz ◽

Davide Donadio

Keyword(s):

Metal Surfaces ◽

Van Der Waals ◽

Van Der Waals Interactions

Download Full-text

Measuring van der Waals and electrostatic forces for an atomic force microscope probe contacting with metal surfaces

Technical Physics Letters ◽

10.1134/s1063785008010069 ◽

2008 ◽

Vol 34 (1) ◽

pp. 17-21 ◽

Cited By ~ 3

Author(s):

G. V. Dedkov ◽

E. G. Dedkova ◽

R. I. Tegaev ◽

Kh. B. Khokonov

Keyword(s):

Atomic Force Microscope ◽

Metal Surfaces ◽

Van Der Waals ◽

Atomic Force Microscope Probe ◽

Electrostatic Forces ◽

Atomic Force ◽

Microscope Probe

Download Full-text