PdnCO (n = 1,2): Accurate Ab Initio Bond Energies, Geometries, and Dipole Moments and the Applicability of Density Functional Theory for Fuel Cell Modeling-Reference-Cited by-同舟云学术

PdnCO (n = 1,2): Accurate Ab Initio Bond Energies, Geometries, and Dipole Moments and the Applicability of Density Functional Theory for Fuel Cell Modeling

Published:2006-11-01 Issue:47 Volume:110 Page:24030-24046
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Schultz Nathan E.¹,Gherman Benjamin F.¹,Cramer Christopher J.¹,Truhlar Donald G.¹

Affiliation:

1. Department of Chemistry and Supercomputing Institute, University of Minnesota, 207 Pleasant Street Southeast, Minneapolis, Minnesota 55455

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp064467t

Reference144 articles.

1. Activity benchmarks and requirements for Pt, Pt-alloy, and non-Pt oxygen reduction catalysts for PEMFCs

2. Ru-Decorated Pt Surfaces as Model Fuel Cell Electrocatalysts for CO Electrooxidation

3. Platinum-Iridium Alloys as Oxygen Reduction Electrocatalysts for Polymer Electrolyte Fuel Cells

4. How bimetallic electrocatalysts does work for reactions involved in fuel cells?

5. Fuel Cells: Principles, Types, Fuels, and Applications

Cited by 48 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Computational Study on the Nature of Bonding between Silver Ions and Nitrogen Ligands;ACS Omega;2022-11-28

2. High-throughput predictions of metal–organic framework electronic properties: theoretical challenges, graph neural networks, and data exploration;npj Computational Materials;2022-05-17

3. Spectra and structures of the Pdm-CO complexes: An infrared matrix isolation and density functional study;Journal of Molecular Spectroscopy;2019-07

4. Selected fundamentals of catalysis and electrocatalysis in energy conversion reactions—A tutorial;Catalysis Today;2018-07

5. Density functional theory study on CO adsorption on the PdnAl (n = 1–5) clusters;International Journal of Modern Physics B;2018-06-18