Literature DB >> 17501491

Methane dissociation on Ni(111): the role of lattice reconstruction.

Sven Nave1, Bret Jackson.   

Abstract

The effects of lattice motion and reconstruction on the dissociation of methane on Ni(111) are explored, using both electronic structure theory and quantum dynamical calculations. We show that during the reaction, the Ni lattice reconstructs, effectively lowering the barrier to reaction, in contrast with earlier models of this process.

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Year:  2007        PMID： 17501491     DOI： 10.1103/PhysRevLett.98.173003

Source DB:  PubMed          Journal:  Phys Rev Lett        ISSN： 0031-9007            Impact factor:   9.161


  8 in total

1.  Vibrational vs. translational energy in promoting a prototype metal-hydrocarbon insertion reaction.

Authors:  David L Proctor; H Floyd Davis
Journal:  Proc Natl Acad Sci U S A       Date:  2008-08-04       Impact factor: 11.205

2.  Enhancing dissociative chemisorption of H2O on Cu(111) via vibrational excitation.

Authors:  Bin Jiang; Xuefeng Ren; Daiqian Xie; Hua Guo
Journal:  Proc Natl Acad Sci U S A       Date:  2012-06-08       Impact factor: 11.205

3.  Surface Reaction Barriometry: Methane Dissociation on Flat and Stepped Transition-Metal Surfaces.

Authors:  Davide Migliorini; Helen Chadwick; Francesco Nattino; Ana Gutiérrez-González; Eric Dombrowski; Eric A High; Han Guo; Arthur L Utz; Bret Jackson; Rainer D Beck; Geert-Jan Kroes
Journal:  J Phys Chem Lett       Date:  2017-08-22       Impact factor: 6.475

4.  Accurate Neural Network Description of Surface Phonons in Reactive Gas-Surface Dynamics: N2 + Ru(0001).

Authors:  Khosrow Shakouri; Jörg Behler; Jörg Meyer; Geert-Jan Kroes
Journal:  J Phys Chem Lett       Date:  2017-04-28       Impact factor: 6.475

5.  Dissociative Chemisorption of O2 on Al(111): Dynamics on a Correlated Wave-Function-Based Potential Energy Surface.

Authors:  Rongrong Yin; Yaolong Zhang; Florian Libisch; Emily A Carter; Hua Guo; Bin Jiang
Journal:  J Phys Chem Lett       Date:  2018-06-05       Impact factor: 6.475

6.  Rotational and steric effects in water dissociative chemisorption on Ni(111).

Authors:  Bin Jiang
Journal:  Chem Sci       Date:  2017-07-26       Impact factor: 9.825

7.  Vibrational control of selective bond cleavage in dissociative chemisorption of methanol on Cu(111).

Authors:  Jialu Chen; Xueyao Zhou; Yaolong Zhang; Bin Jiang
Journal:  Nat Commun       Date:  2018-10-02       Impact factor: 14.919

8.  Analysis of Energy Dissipation Channels in a Benchmark System of Activated Dissociation: N2 on Ru(0001).

Authors:  Khosrow Shakouri; Jörg Behler; Jörg Meyer; Geert-Jan Kroes
Journal:  J Phys Chem C Nanomater Interfaces       Date:  2018-09-20       Impact factor: 4.126
  8 in total

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