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Paul Winget
Researcher at Georgia Institute of Technology
Publications - 49
Citations - 3894
Paul Winget is an academic researcher from Georgia Institute of Technology. The author has contributed to research in topics: Density functional theory & Solvation. The author has an hindex of 25, co-authored 43 publications receiving 3491 citations. Previous affiliations of Paul Winget include University of Erlangen-Nuremberg & University of Minnesota.
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Journal ArticleDOI
A Universal Method to Produce Low―Work Function Electrodes for Organic Electronics
Yinhua Zhou,Canek Fuentes-Hernandez,Jae Won Shim,Jens Meyer,Anthony J. Giordano,Hong Li,Paul Winget,Theodoros A. Papadopoulos,Hyeunseok Cheun,Jungbae Kim,Mathieu Fenoll,Mathieu Fenoll,Amir Dindar,Wojciech Haske,Ehsan Najafabadi,Talha M. Khan,Hossein Sojoudi,Stephen Barlow,Samuel Graham,Jean-Luc Brédas,Seth R. Marder,Antoine Kahn,Bernard Kippelen +22 more
TL;DR: It is shown that surface modifiers based on polymers containing simple aliphatic amine groups substantially reduce the work function of conductors including metals, transparent conductive metal oxides, conducting polymers, and graphene.
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Computation of equilibrium oxidation and reduction potentials for reversible and dissociative electron-transfer reactions in solution
TL;DR: In this article, equilibrium free energy cycles relating oxidation and reduction potentials in solution to ionization potentials and electron affinities in the gas phase are constructed and the utilities of various levels of theory for computing particular free energy changes within these cycles are discussed within the context of several examples.
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Computational electrochemistry: aqueous one-electron oxidation potentials for substituted anilines
TL;DR: In this article, the authors used semiempirical molecular orbital theory and density functional theory to compute one-electron oxidation potentials for aniline and a set of 21 mono and di-substituted anilines in aqueous solution.
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Extension of the platform of applicability of the SM5.42R universal solvation model
Jiabo Li,Tianhai Zhu,Gregory D. Hawkins,Paul Winget,Daniel Liotard,Christopher J. Cramer,Donald G. Truhlar +6 more
TL;DR: In this paper, the authors presented eight new parameterizations of the SM5.42R solvation model: B3LYP/MIDI!, B3PVDZ, AM1, PM3, BPW91/MidI!, and AM1/PM3, with mean unsigned errors in the range 0.43-0.46-kcal/mol.
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Magnetite Fe3O4 (111) Surfaces: Impact of Defects on Structure, Stability, and Electronic Properties
Junghyun Noh,Junghyun Noh,Osman I. Osman,Saadullah G. Aziz,Paul Winget,Jean-Luc Brédas,Jean-Luc Brédas +6 more
TL;DR: In this article, a comprehensive investigation of various surface terminations of magnetite, Fe3O4 (111), a major iron oxide that also has a number of applications in electronics and spintronics is presented.