Related references
Note: Only part of the references are listed.A DFT study of CO adsorption on pt (111) using van der Waals functionals
K. G. Lakshmikanth et al.
SURFACE SCIENCE (2019)
Carbon-Supported Divacancy-Anchored Platinum Single-Atom Electrocatalysts with Superhigh Pt Utilization for the Oxygen Reduction Reaction
Jing Liu et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2019)
Platinum single-atom adsorption on graphene: a density functional theory study
Sasfan Arman Wella et al.
NANOSCALE ADVANCES (2019)
CO Adsorption Site Preference on Platinum: Charge Is the Essence
G. T. Kasun Kalhara Gunasooriya et al.
ACS CATALYSIS (2018)
CO Adsorption on Pt(111): From Isolated Molecules to Ordered high–coverage Structures
G. T. Kasun Kalhara Gunasooriya et al.
ACS Catalysis (2018)
Electrode potential from density functional theory calculations combined with implicit solvation theory
Jun Haruyama et al.
PHYSICAL REVIEW MATERIALS (2018)
Hydrogen adsorption on Pt(111) revisited from random phase approximation
Lei Yan et al.
JOURNAL OF CHEMICAL PHYSICS (2018)
Atomic Structure and Local Electronic States of Single Pt Atoms Dispersed on Graphene
Kenji Yamazaki et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2018)
DFT Study of the Oxygen Reduction Reaction on Carbon-Coated Iron and Iron Carbide
Mateusz Reda et al.
ACS CATALYSIS (2018)
Tuning the Electronic Properties of Single-Atom Pt Catalysts by Functionalization of the Carbon Support Material
Mehdi Mahmoodinia et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2017)
Surface evolution of a Pt-Pd-Au electrocatalyst for stable oxygen reduction
Jian Li et al.
NATURE ENERGY (2017)
Hybrid solvation models for bulk, interface, and membrane: Reference interaction site methods coupled with density functional theory
S. Nishihara et al.
PHYSICAL REVIEW B (2017)
Graphene-supported small transition-metal clusters: A density functional theory investigation within van der Waals corrections
Celso R. C. Rego et al.
PHYSICAL REVIEW B (2017)
Density Functional Theory Studies of the Methanol Decomposition Reaction on Graphene-Supported Pt13 Nanoclusters
Raymond J. Gaspert et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2016)
First-Principles Predictions of Structure Function Relationships of Graphene-Supported Platinum Nanoclusters
Hongbo Shi et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2016)
Understanding Pt Nanoparticle Anchoring on Graphene Supports through Surface Functionalization
Le Xing et al.
ACS CATALYSIS (2016)
Self-consistent van der Waals density functional study of benzene adsorption on Si(100)
Yuji Hamamoto et al.
PHYSICAL REVIEW B (2016)
The effect of a graphene support on the properties of Pt electrode catalysts in fuel cells
Junji Nakamura
CARBON (2015)
Molecular adsorption at Pt(111). How accurate are DFT functionals?
Sarah Gautier et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2015)
mBEEF: An accurate semi-local Bayesian error estimation density functional
Jess Wellendorff et al.
JOURNAL OF CHEMICAL PHYSICS (2014)
Electrocatalytic activity of Pt subnano/nanoclusters stabilized by pristine graphene nanosheets
Yi Shen et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2014)
Determination of gravitational counterterms near four dimensions from renormalization group equations
Ken-ji Hamada
PHYSICAL REVIEW D (2014)
A theoretical insight on the interaction between Pt nanoparticles and hydroxylated graphene nanoflakes
Arunabhiram Chutia et al.
SURFACE SCIENCE (2014)
Pt sub-nano/nanoclusters stabilized at the edge of nanographene sheets and their catalytic performance
Takaaki Tomai et al.
ELECTROCHIMICA ACTA (2013)
The role of van der Waals forces in water adsorption on metals
Javier Carrasco et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
Single-atom Catalysis Using Pt/Graphene Achieved through Atomic Layer Deposition
Shuhui Sun et al.
SCIENTIFIC REPORTS (2013)
First principles studies of the electronic properties and catalytic activity of single-walled carbon nanotube doped with Pt clusters and chains
Kayla E. Hayes et al.
CHEMICAL PHYSICS (2012)
Methane bond activation by Pt and Pd subnanometer clusters supported on graphene and carbon nanotubes
John Russell et al.
CHEMICAL PHYSICS LETTERS (2012)
Water wetting on representative metal surfaces: Improved description from van der Waals density functionals
Ikutaro Hamada et al.
CHEMICAL PHYSICS LETTERS (2012)
A simplified implementation of van der Waals density functionals for first-principles molecular dynamics applications
Jun Wu et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Binding of Pt Nanoclusters to Point Defects in Graphene: Adsorption, Morphology, and Electronic Structure
Ioanna Fampiou et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2012)
A theoretical simulation on the catalytic oxidation of CO on Pt/graphene
Yanan Tang et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2012)
Density functionals for surface science: Exchange-correlation model development with Bayesian error estimation
Jess Wellendorff et al.
PHYSICAL REVIEW B (2012)
In situ observation of Pt nanoparticles on graphene layers under high temperature using aberration-corrected transmission electron microscopy
Ayako Hashimoto et al.
JOURNAL OF ELECTRON MICROSCOPY (2012)
First principles study of the physisorption of hydrogen molecule on graphene and carbon nanotube surfaces adhered by Pt atom
Pham Tien Lam et al.
COMPUTATIONAL MATERIALS SCIENCE (2010)
Greatly enhanced adsorption and catalytic activity of Au and Pt clusters on defective graphene
Miao Zhou et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Significant Reduction in Adsorption Energy of CO on Platinum Clusters on Graphite
Junepyo Oh et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2010)
Interaction of water with a metal surface: Importance of van der Waals forces
Ikutaro Hamada et al.
PHYSICAL REVIEW B (2010)
Density functional theory with nonlocal correlation: A key to the solution of the CO adsorption puzzle
P. Lazic et al.
PHYSICAL REVIEW B (2010)
Structures of Pt clusters on graphene by first-principles calculations
K. Okazaki-Maeda et al.
SURFACE SCIENCE (2010)
Density Functional Theory Comparison of Water Dissociation Steps on Cu, Au, Ni, Pd, and Pt
Abhijit A. Phatak et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2009)
Enhanced Electrocatalytic Activity of Pt Subnanoclusters on Graphene Nanosheet Surface
EunJoo Yoo et al.
NANO LETTERS (2009)
Substrate-mediated interactions of Pt atoms adsorbed on single-wall carbon nanotubes: Density functional calculations
Hieu Chi Dam et al.
PHYSICAL REVIEW B (2009)
Green's function method for elimination of the spurious multipole interaction in the surface/interface slab model
Ikutaro Hamada et al.
PHYSICAL REVIEW B (2009)
Density functional study of Pt4 clusters adsorbed on a carbon nanotube support
Nguyen Thanh Cuong et al.
PHYSICAL REVIEW B (2009)
Efficient Implementation of a van der Waals Density Functional: Application to Double-Wall Carbon Nanotubes
Guillermo Roman-Perez et al.
PHYSICAL REVIEW LETTERS (2009)
Effects of carbon supports on Pt nano-cluster catalyst
Nguyen Thanh Cuong et al.
COMPUTATIONAL MATERIALS SCIENCE (2008)
Density-functional analysis of hydrogen on Pt(111): Electric field, solvent, and coverage effects
Ikutaro Hamada et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2008)
Electronic structures of Pt clusters adsorbed on (5,5) single wall carbon nanotube
Dam Hieu Chi et al.
CHEMICAL PHYSICS LETTERS (2006)
Energy gaps in graphene nanoribbons
Young-Woo Son et al.
PHYSICAL REVIEW LETTERS (2006)
A review of anode catalysis in the direct methanol fuel cell
HS Liu et al.
JOURNAL OF POWER SOURCES (2006)
First-principles calculations of charged surfaces and interfaces: A plane-wave nonrepeated slab approach
M Otani et al.
PHYSICAL REVIEW B (2006)
Hydrogen adsorption and diffusion on Pt {111} and PtSn {111}
Joanne Fearon et al.
JOURNAL OF MATERIALS CHEMISTRY (2006)
Atomic and molecular adsorption on Pt(111)
DC Ford et al.
SURFACE SCIENCE (2005)
Origin of the overpotential for oxygen reduction at a fuel-cell cathode
JK Norskov et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2004)
Theoretical study of n-alkane adsorption on metal surfaces
Y Morikawa et al.
PHYSICAL REVIEW B (2004)
Modeling the electro-oxidation of CO and H2/CO on Pt, Ru, PtRu and Pt3Sn
P Liu et al.
ELECTROCHIMICA ACTA (2003)
Preparation of fine platinum catalyst supported on single-wall carbon nanohorns for fuel cell application
T Yoshitake et al.
PHYSICA B-CONDENSED MATTER (2002)
A density-functional study of the atomic structures and vibrational spectra of NO/Pt(111)
H Aizawa et al.
SURFACE SCIENCE (2002)
A first-principles study of methanol decomposition on Pt(111)
J Greeley et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2002)
The CO/Pt(111) puzzle
PJ Feibelman et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2001)
Theoretical study of hydrogenation process of formate on clean and Zn deposited Cu(111) surfaces
Y Morikawa et al.
APPLIED SURFACE SCIENCE (2001)