Работы, на которые ссылается эта работа

Работ: 63

Работа: Density Functional Investigation of the Adsorption of Ethanol–Water Mixture on the Pt(111) Surface

Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof
Статья1996Цитирований: 153
ABI
Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set
Georg Kresse, J. Furthmüller
Статья1996Цитирований: 64
ABI
A consistent and accurateab initioparametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
Stefan Grimme, Jens Antony, Stephan Ehrlich +1
Статья2010Цитирований: 57
ABI
Projector augmented-wave method
Peter E. Blöchl
Статья1994Цитирований: 42
ABI
Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction
Stefan Grimme
Статья2006Цитирований: 42
ABI
From ultrasoft pseudopotentials to the projector augmented-wave method
Georg Kresse, Daniel P. Joubert
Статья1999Цитирований: 39
ABI
Introduction to Solid State Physics
C. Kittel, D. L. Dexter
Статья1953Цитирований: 18
ABI
ReaxFF: A Reactive Force Field for Hydrocarbons
Adri C. T. van Duin, Siddharth Dasgupta, François Lorant +1
Статья2001Цитирований: 15
ABI
Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation
John P. Perdew, J. A. Chevary, S. H. Vosko +4
Статья1992Цитирований: 11
ABI
Erratum: Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation
John P. Perdew, J. A. Chevary, S. H. Vosko +4
Другое1993Цитирований: 7
ABI
Ab initiomolecular dynamics for open-shell transition metals
Georg Kresse, J. Häfner
Статья1993Цитирований: 6
ABI
The work function of the elements and its periodicity
Herbert B. Michaelson
Статья1977Цитирований: 3
ABI
General Model for Water Monomer Adsorption on Close-Packed Transition and Noble Metal Surfaces
Angelos Michaelides, Víctor A. Ranea, P. L. de Andrés +1
Статья2003Цитирований: 3
ABI
Ternary Pt/Rh/SnO2 electrocatalysts for oxidizing ethanol to CO2
A. Kowal, M. Li, Minhua Shao +7
Статья2009Цитирований: 3
ABI
Improved Description of the Structure of Molecular and Layered Crystals: Ab Initio DFT Calculations with van der Waals Corrections
Tomáš Bučko, Jürgen Häfner, Sébastien Lebègue∥ +1
Статья2010Цитирований: 3
ABI
Adsorption of water monomer and clusters on platinum(111) terrace and related steps and kinks
Líney Árnadóttir, Eric M. Stuve, Hannes Jónsson
Статья2010Цитирований: 2
ABI
DFT studies for cleavage of C$z.sbnd;C and C$z.sbnd;O bonds in surface species derived from ethanol on Pt(111)
R. Alcalá
Статья2003Цитирований: 2
ABI
Renewable Hydrogen from Ethanol by Autothermal Reforming
Gregg A. Deluga, J. R. Salge, L.D. Schmidt +1
Статья2004Цитирований: 2
ABI
Calculation of the lattice constant of solids with semilocal functionals
P. Haas, Fabien Tran, Peter Blaha
Статья2009Цитирований: 2
ABI
Structure and Bonding of Water on Pt(111)
Hirohito Ogasawara, Barbara Brena, Dennis Nordlund +4
Статья2002Цитирований: 2
ABI
Current Status of Hydrogen Production Techniques by Steam Reforming of Ethanol: A Review
Agus Haryanto, Sandun Fernando, N. S. Murali +1
Обзорная статья2005Цитирований: 2
ABI
Adsorption of Xe Atoms on Metal Surfaces: New Insights from First-Principles Calculations
Juarez L. F. Da Silva, Catherine Stampfl, Matthias Scheffler
Статья2003Цитирований: 2
ABI
Metal-catalysed steam reforming of ethanol in the production of hydrogen for fuel cell applications
John P. Breen, R. Burch, Heather M. Coleman
Статья2002Цитирований: 2
ABI
Theoretical study ofn-alkane adsorption on metal surfaces
Yoshitada Morikawa, Hisao Ishii, Kazuhiko Seki
Статья2004Цитирований: 2
ABI
Xe adsorption on metal surfaces: First-principles investigations
Juarez L. F. Da Silva, Catherine Stampfl, Matthias Scheffler
Статья2005Цитирований: 2
ABI

Работы, на которые ссылается эта работа

Generalized Gradient Approximation Made Simple

Efficient iterative schemes for<i>ab initio</i>total-energy calculations using a plane-wave basis set

A consistent and accurate<i>ab initio</i>parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

Projector augmented-wave method

Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction

From ultrasoft pseudopotentials to the projector augmented-wave method

Introduction to Solid State Physics

ReaxFF: A Reactive Force Field for Hydrocarbons

Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation

Erratum: Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation

<i>Ab initio</i>molecular dynamics for open-shell transition metals

The work function of the elements and its periodicity

General Model for Water Monomer Adsorption on Close-Packed Transition and Noble Metal Surfaces

Ternary Pt/Rh/SnO2 electrocatalysts for oxidizing ethanol to CO2

Improved Description of the Structure of Molecular and Layered Crystals: Ab Initio DFT Calculations with van der Waals Corrections

Adsorption of water monomer and clusters on platinum(111) terrace and related steps and kinks

DFT studies for cleavage of C$z.sbnd;C and C$z.sbnd;O bonds in surface species derived from ethanol on Pt(111)

Renewable Hydrogen from Ethanol by Autothermal Reforming

Calculation of the lattice constant of solids with semilocal functionals

Structure and Bonding of Water on Pt(111)

Current Status of Hydrogen Production Techniques by Steam Reforming of Ethanol: A Review

Adsorption of Xe Atoms on Metal Surfaces: New Insights from First-Principles Calculations

Metal-catalysed steam reforming of ethanol in the production of hydrogen for fuel cell applications

Theoretical study of<b><i>n</i></b>-alkane adsorption on metal surfaces

Xe adsorption on metal surfaces: First-principles investigations