P
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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Interfacial Electronic Structure in Thiolate Self-Assembled Monolayers: Implication for Molecular Electronics
TL;DR: In this article, the authors used laser two-photon photoemission spectroscopy and ab initio calculations of model molecules to find that the interfacial electronic structure is dominated by two virtual orbitals localized to the thiolate anchor and strongly coupled to the metal substrate.
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Reduction of the Work Function of Gold by N-Heterocyclic Carbenes
Hye Kyung Kim,Alexander S. Hyla,Alexander S. Hyla,Paul Winget,Hong Li,Hong Li,Chelsea M. Wyss,Abraham J. Jordan,Felipe A. Larrain,Joseph P. Sadighi,Canek Fuentes-Hernandez,Bernard Kippelen,Jean-Luc Brédas,Jean-Luc Brédas,Stephen Barlow,Seth R. Marder +15 more
TL;DR: In this article, the effect of N-Heterocyclic carbenes (NHCs) on the work function (WF) of gold for the first time, theoretically analyzes the origin of this effect, and examines the effectiveness of NHC-modified gold as an electroninjecting electrode.
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Towards a ‘‘next generation’’ neglect of diatomic differential overlap based semiempirical molecular orbital technique
TL;DR: In this article, the authors discuss problems and features of current semi-empirical molecular orbital techniques and test some of the approximations and assumptions used, including orthogonalization corrections, effective core potentials and an implicit dispersion term.
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Binding Modes of Fluorinated Benzylphosphonic Acids on the Polar ZnO Surface and Impact on Work Function
TL;DR: In this paper, the core-level binding energy shifts of the PO3 moiety with respect to the oxygen atoms in bulk ZnO were investigated at the density functional theory level.
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Enthalpies of formation from B3LYP calculations.
Paul Winget,Timothy Clark +1 more
TL;DR: The geometries, energies, and normal vibrations of 845 compounds containing the elements H, C, N, O, F, Al, Si, P, S, and Cl are calculated using hybrid density functional theory to investigate the accuracy of atom‐additive schemes for predicting enthalpies of formation at 298 K.