Paul Redfern

Paul Redfern

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Paul Redfern

Paul Redfern

Publications by authors named "Paul Redfern"

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18Publications

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Manipulation of Origin of Life Molecules: Recognizing Single-Molecule Conformations in β-Carotene and Chlorophyll-a/β-Carotene Clusters.

ACS Nano 2018 01 11;12(1):217-225. Epub 2018 Jan 11.

Nanoscale & Quantum Phenomena Institute and Physics & Astronomy Department, Ohio University , Athens, Ohio 45701, United States.

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http://dx.doi.org/10.1021/acsnano.7b05841DOI Listing
January 2018

Role of Manganese Deposition on Graphite in the Capacity Fading of Lithium Ion Batteries.

ACS Appl Mater Interfaces 2016 Jun 26;8(22):14244-51. Epub 2016 May 26.

Department of Materials Science and Engineering, University of Illinois , Urbana-Champaign, Urbana, Illinois 61801, United States.

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http://dx.doi.org/10.1021/acsami.6b02061DOI Listing
June 2016

An atomistically informed mesoscale model for growth and coarsening during discharge in lithium-oxygen batteries.

J Chem Phys 2015 Dec;143(22):224113

Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439, USA.

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http://dx.doi.org/10.1063/1.4936410DOI Listing
December 2015

Effect of the size-selective silver clusters on lithium peroxide morphology in lithium-oxygen batteries.

Nat Commun 2014 Sep 12;5:4895. Epub 2014 Sep 12.

1] Materials Science Division, Argonne National Laboratory, Lemont, Illinois 60439, USA [2] Nanoscience and Technology Division, Argonne National Laboratory, Argonne, Illinois 60439, USA.

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http://dx.doi.org/10.1038/ncomms5895DOI Listing
September 2014

Raman Evidence for Late Stage Disproportionation in a Li-O2 Battery.

J Phys Chem Lett 2014 Aug 28;5(15):2705-10. Epub 2014 Jul 28.

‡Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439, United States.

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http://pubs.acs.org/doi/10.1021/jz501323n
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http://dx.doi.org/10.1021/jz501323nDOI Listing
August 2014

Structure and Stability of Lithium Superoxide Clusters and Relevance to Li-O2 Batteries.

J Phys Chem Lett 2014 Mar 13;5(5):813-9. Epub 2014 Feb 13.

†Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439, United States.

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http://dx.doi.org/10.1021/jz500084eDOI Listing
March 2014

Mechanistic insights into the decomposition of fructose to hydroxy methyl furfural in neutral and acidic environments using high-level quantum chemical methods.

J Phys Chem B 2011 Apr 28;115(15):4341-9. Epub 2011 Mar 28.

Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439, United States.

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http://pubs.acs.org/doi/abs/10.1021/jp1104278
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http://dx.doi.org/10.1021/jp1104278DOI Listing
April 2011

Computational studies of the thermochemistry for conversion of glucose to levulinic acid.

J Phys Chem B 2010 Jul;114(27):9002-9

Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439, USA.

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http://dx.doi.org/10.1021/jp101418fDOI Listing
July 2010

Investigation of Gaussian4 theory for transition metal thermochemistry.

J Phys Chem A 2009 Apr;113(17):5170-5

Department of Chemistry, Indiana University, Bloomington, Indiana 47405, USA.

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http://dx.doi.org/10.1021/jp809179qDOI Listing
April 2009

Subnanometre platinum clusters as highly active and selective catalysts for the oxidative dehydrogenation of propane.

Nat Mater 2009 Mar 8;8(3):213-6. Epub 2009 Feb 8.

Chemical Sciences and Engineering Division, Argonne National Laboratory, 9700 South Cass Avenue, Argonne, Illinois 60439, USA.

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http://dx.doi.org/10.1038/nmat2384DOI Listing
March 2009

Toward accurate thermochemical models for transition metals: G3Large basis sets for atoms Sc-Zn.

J Chem Phys 2008 Apr;128(14):144122

Department of Chemistry, Indiana University, Bloomington, Indiana 47405, USA.

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http://dx.doi.org/10.1063/1.2896084DOI Listing
April 2008

Gaussian-4 theory using reduced order perturbation theory.

J Chem Phys 2007 Sep;127(12):124105

Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439, USA.

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http://dx.doi.org/10.1063/1.2770701DOI Listing
September 2007

Gaussian-4 theory.

J Chem Phys 2007 Feb;126(8):084108

Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439, USA.

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http://dx.doi.org/10.1063/1.2436888DOI Listing
February 2007

Assessment of Gaussian-3 and density-functional theories on the G3/05 test set of experimental energies.

J Chem Phys 2005 Sep;123(12):124107

Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439, USA.

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http://dx.doi.org/10.1063/1.2039080DOI Listing
September 2005

Excited state dynamics and structures of functionalized phthalocyanines. 1. Self-regulated assembly of zinc helicenocyanine.

J Phys Chem B 2005 Sep;109(35):16598-609

Chemistry Division and Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439, USA.

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http://dx.doi.org/10.1021/jp051947wDOI Listing
September 2005

Mechanisms of lithium transport in amorphous polyethylene oxide.

J Chem Phys 2005 Feb;122(5):54702

School of Physics and Astronomy, University of Minnesota, Minneapolis, MN 55455, USA.

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http://dx.doi.org/10.1063/1.1839555DOI Listing
February 2005