First-principles study toward CO adsorption on Au/Ni surface alloys.

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Ensemble and ligand effects on the acetylene adsorption on ordered Pd(x)Ag(1-x)/Pd(100) surface alloys investigated by periodic DFT study.

P2860

Q43961329-2367BAC7-D054-474D-A576-36E56C81639E

P2860

First-principles study toward CO adsorption on Au/Ni surface alloys.

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http://www.wikidata.org/entity/Q51312267

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2012 nî lūn-bûn

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2012年の論文

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2012年学术文章

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2012年学术文章

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2012年学术文章

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First-principles study toward CO adsorption on Au/Ni surface alloys.

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First-principles study toward CO adsorption on Au/Ni surface alloys.

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Item

label

First-principles study toward CO adsorption on Au/Ni surface alloys.

@en

First-principles study toward CO adsorption on Au/Ni surface alloys.

@nl

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First-principles study toward CO adsorption on Au/Ni surface alloys.

@en

First-principles study toward CO adsorption on Au/Ni surface alloys.

@nl

P1476

First-principles study toward CO adsorption on Au/Ni surface alloys.

@en

P2093

Jin Yan Du

http://www.w3.org/2001/XMLSchema#string

Su Fan Wang

http://www.w3.org/2001/XMLSchema#string

Tao Zhou

http://www.w3.org/2001/XMLSchema#string

P2860

Generalized Gradient Approximation Made Simple

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

Special points for Brillouin-zone integrations

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

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

Catalyzed CO oxidation at 70 K on an extended Au/Ni surface alloy

Steam Reforming and Graphite Formation on Ni Catalysts

Improved adsorption energetics within density-functional theory using revised Perdew-Burke-Ernzerhof functionals

Implementation of gradient-corrected exchange-correlation potentials in Car-Parrinello total-energy calculations.

Role of strain and ligand effects in the modification of the electronic and chemical properties of bimetallic surfaces.

P304

3909-3915

http://www.w3.org/2001/XMLSchema#string

P31

scholarly article

P356

10.1002/CPHC.201200606

http://www.w3.org/2001/XMLSchema#string

P433

http://www.w3.org/2001/XMLSchema#string

P478

http://www.w3.org/2001/XMLSchema#string

P50

Yucheng Huang

P577

2012-10-09T00:00:00Z

http://www.w3.org/2001/XMLSchema#dateTime

P698

23047643

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First-principles study toward CO adsorption on Au/Ni surface alloys.

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P2860

P2860

First-principles study toward CO adsorption on Au/Ni surface alloys.

description

name

type

label

prefLabel

P1433

P1476

P2093

P2860

P304

P31

P356

P433

P478

P50

P577

P698

P356

P1433

P1476

P2093

P2860

P304

P31

P356

P433

P478

P50

P577

P698