Evaluation of van der Waals density functionals for layered materials

Physical Review Materials ◽

10.1103/physrevmaterials.2.034005 ◽

2018 ◽

Vol 2 (3) ◽

Author(s):

Sherif Abdulkader Tawfik ◽

Tim Gould ◽

Catherine Stampfl ◽

Michael J. Ford

Keyword(s):

Van Der Waals ◽

Layered Materials ◽

Density Functionals

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Density functionals combined with van der Waals corrections for graphene adsorbed on layered materials

Physical Review B ◽

10.1103/physrevb.101.195426 ◽

2020 ◽

Vol 101 (19) ◽

Author(s):

Hong Tang ◽

Shah Tanvir ur Rahman Chowdhury ◽

Jianmin Tao ◽

John P. Perdew

Keyword(s):

Van Der Waals ◽

Layered Materials ◽

Density Functionals

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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) ◽

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

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Accurate Treatment of Large Supramolecular Complexes by Double-Hybrid Density Functionals Coupled with Nonlocal van der Waals Corrections

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.5b00002 ◽

2015 ◽

Vol 11 (3) ◽

pp. 932-939 ◽

Author(s):

Joaquín Calbo ◽

Enrique Ortí ◽

Juan C. Sancho-García ◽

Juan Aragó

Keyword(s):

Van Der Waals ◽

Supramolecular Complexes ◽

Density Functionals ◽

Accurate Treatment

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van der Waals Epitaxy Growth of Bi2Se3 on a Freestanding Monolayer Graphene Membrane: Implications for Layered Materials and Heterostructures

ACS Applied Nano Materials ◽

10.1021/acsanm.1c01170 ◽

2021 ◽

Author(s):

Jason Lapano ◽

Ondrej Dyck ◽

Andrew R. Lupini ◽

Wonhee Ko ◽

Haoxiang Li ◽

...

Keyword(s):

Van Der Waals ◽

Layered Materials ◽

Monolayer Graphene ◽

Graphene Membrane

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Structure and stability of weakly chemisorbed ethene adsorbed on low-index Cu surfaces: performance of density functionals with van der Waals interactions

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/24/42/424217 ◽

2012 ◽

Vol 24 (42) ◽

pp. 424217 ◽

Author(s):

Felix Hanke ◽

Matthew S Dyer ◽

Jonas Björk ◽

Mats Persson

Keyword(s):

Van Der Waals ◽

Van Der Waals Interactions ◽

Density Functionals ◽

Structure And Stability

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Binding Energy Curves from Nonempirical Density Functionals II. van der Waals Bonds in Rare-Gas and Alkaline-Earth Diatomics

The Journal of Physical Chemistry A ◽

10.1021/jp053905d ◽

2005 ◽

Vol 109 (48) ◽

pp. 11015-11021 ◽

Author(s):

Adrienn Ruzsinszky ◽

John P. Perdew ◽

Gábor I. Csonka

Keyword(s):

Binding Energy ◽

Alkaline Earth ◽

Van Der Waals ◽

Rare Gas ◽

Density Functionals

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Al enhances the H2storage capacity of graphene at nanoribbon borders but not at central sites: A study using nonlocal van der Waals density functionals

Physical Review B ◽

10.1103/physrevb.85.125435 ◽

2012 ◽

Vol 85 (12) ◽

Author(s):

J. Carrete ◽

R. C. Longo ◽

L. J. Gallego ◽

A. Vega ◽

L. C. Balbás

Keyword(s):

Van Der Waals ◽

Density Functionals

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Benchmarking van der Waals density functionals with experimental data: potential-energy curves for H2molecules on Cu(111), (100) and (110) surfaces

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/24/42/424213 ◽

2012 ◽

Vol 24 (42) ◽

pp. 424213 ◽

Author(s):

Kyuho Lee ◽

Kristian Berland ◽

Mina Yoon ◽

Stig Andersson ◽

Elsebeth Schröder ◽

...

Keyword(s):

Experimental Data ◽

Potential Energy ◽

Van Der Waals ◽

Potential Energy Curves ◽

Density Functionals

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The potential for fast van der Waals computations for layered materials using a Lifshitz model

2D Materials ◽

10.1088/2053-1583/aa528e ◽

2017 ◽

Vol 4 (2) ◽

pp. 025005 ◽

Author(s):

Yao Zhou ◽

Lenson A Pellouchoud ◽

Evan J Reed

Keyword(s):

Van Der Waals ◽

Layered Materials

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Deterministic and Etching-Free Transfer of Large-Scale 2D Layered Materials for Constructing Interlayer Coupled van der Waals Heterostructures

Advanced Materials Technologies ◽

10.1002/admt.201700282 ◽

2018 ◽

Vol 3 (5) ◽

pp. 1700282 ◽

Author(s):

Li Tao ◽

Hao Li ◽

Yun Gao ◽

Zefeng Chen ◽

Lei Wang ◽

...

Keyword(s):

Large Scale ◽

Van Der Waals ◽

Layered Materials ◽

Van Der Waals Heterostructures ◽

2D Layered Materials

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