Adsorption of a Hydrogen Atom on a Graphene Flake Examined with Quantum Trajectory/Electronic Structure Dynamics-Reference-Cited by-同舟云学术

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Adsorption of a Hydrogen Atom on a Graphene Flake Examined with Quantum Trajectory/Electronic Structure Dynamics

Published:2014-07-14 Issue:29 Volume:118 Page:16175-16187
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

Wang Lei¹,Jakowski Jacek²,Garashchuk Sophya¹

Affiliation:

1. Department of Chemistry and Biochemistry, University of South Carolina, 631 Sumter Street, Columbia, South Carolina 29208, United States

2. National Institute of Computational Sciences, University of Tennessee, Oak Ridge, Tennessee 37831, United States

Publisher

American Chemical Society (ACS)

Subject

Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials

Link

https://pubs.acs.org/doi/pdf/10.1021/jp503261k

Reference57 articles.

1. Quantum Sieving in Carbon Nanotubes and Zeolites

2. Dynamic Quantum Molecular Sieving Separation of D2 from H2–D2 Mixture with Nanoporous Materials

3. Highly Selective Quantum Sieving of D2 from H2 by a Metal–Organic Framework As Determined by Gas Manometry and Infrared Spectroscopy

4. Hydrogen Physisorption on Carbon Foams upon Inclusion of Many-Body and Quantum Delocalization Effects

5. Proton Transport in Triflic Acid Hydrates Studied via Path Integral Car−Parrinello Molecular Dynamics

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1. From ground to excited electronic state dynamics of electron and ion irradiated graphene nanomaterials;Theoretical and Computational Chemistry;2022

2. From classical to quantum dynamics of atomic and ionic species interacting with graphene and its analogue;Theoretical and Computational Chemistry;2022

3. Molecular dynamics with nuclear quantum effects: Approximations to the quantum force;Annual Reports in Computational Chemistry;2020

4. Evaluation of Adsorption Equilibria for Hydrogen and Methane on Graphene;Journal of Chemical & Engineering Data;2019-10-22

5. Theoretical investigation of the defect position effect on the NLO properties of N and B doped graphenes;Journal of Photochemistry and Photobiology A: Chemistry;2018-12

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